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Commit 5e1a87fb authored by peastman's avatar peastman
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Merge pull request #1142 from peastman/tests 

Refactored test cases
parents b11af401 cece0cdb
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platforms/reference/tests/TestReferenceGBSAOBCForce.cpp
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......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008-2013 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -29,216 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests the reference implementation of GBSAOBCForce.
*/
#include "ReferenceTests.h"
#include "TestGBSAOBCForce.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/GBSAOBCForce.h"
#include "openmm/System.h"
#include "openmm/LangevinIntegrator.h"
#include "openmm/NonbondedForce.h"
#include "SimTKOpenMMRealType.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
const double TOL = 1e-5;
void testSingleParticle() {
System system;
system.addParticle(2.0);
LangevinIntegrator integrator(0, 0.1, 0.01);
GBSAOBCForce* forceField = new GBSAOBCForce();
forceField->addParticle(0.5, 0.15, 1);
system.addForce(forceField);
ASSERT(!forceField->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
Context context(system, integrator, platform);
vector<Vec3> positions(1);
positions[0] = Vec3(0, 0, 0);
context.setPositions(positions);
State state = context.getState(State::Energy);
double bornRadius = 0.15-0.009; // dielectric offset
double eps0 = EPSILON0;
double bornEnergy = (-0.5*0.5/(8*PI_M*eps0))*(1.0/forceField->getSoluteDielectric()-1.0/forceField->getSolventDielectric())/bornRadius;
double extendedRadius = 0.15+0.14; // probe radius
double nonpolarEnergy = 4*PI_M*2.25936*extendedRadius*extendedRadius*std::pow(0.15/bornRadius, 6.0);
ASSERT_EQUAL_TOL((bornEnergy+nonpolarEnergy), state.getPotentialEnergy(), 0.01);
// Change the parameters and see if it is still correct.
forceField->setParticleParameters(0, 0.4, 0.25, 1);
forceField->updateParametersInContext(context);
state = context.getState(State::Energy);
bornRadius = 0.25-0.009; // dielectric offset
bornEnergy = (-0.4*0.4/(8*PI_M*eps0))*(1.0/forceField->getSoluteDielectric()-1.0/forceField->getSolventDielectric())/bornRadius;
extendedRadius = 0.25+0.14;
nonpolarEnergy = 4*PI_M*2.25936*extendedRadius*extendedRadius*std::pow(0.25/bornRadius, 6.0);
ASSERT_EQUAL_TOL((bornEnergy+nonpolarEnergy), state.getPotentialEnergy(), 0.01);
}
void testGlobalSettings() {
System system;
system.addParticle(2.0);
LangevinIntegrator integrator(0, 0.1, 0.01);
GBSAOBCForce* forceField = new GBSAOBCForce();
forceField->addParticle(0.5, 0.15, 1);
const double soluteDielectric = 2.1;
const double solventDielectric = 35.0;
const double surfaceAreaEnergy = 0.75;
forceField->setSoluteDielectric(soluteDielectric);
forceField->setSolventDielectric(solventDielectric);
forceField->setSurfaceAreaEnergy(surfaceAreaEnergy);
system.addForce(forceField);
ASSERT(!forceField->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
Context context(system, integrator, platform);
vector<Vec3> positions(1);
positions[0] = Vec3(0, 0, 0);
context.setPositions(positions);
State state = context.getState(State::Energy);
double bornRadius = 0.15-0.009; // dielectric offset
double eps0 = EPSILON0;
double bornEnergy = (-0.5*0.5/(8*PI_M*eps0))*(1.0/soluteDielectric-1.0/solventDielectric)/bornRadius;
double extendedRadius = 0.15+0.14; // probe radius
double nonpolarEnergy = 4*PI_M*surfaceAreaEnergy*extendedRadius*extendedRadius*std::pow(0.15/bornRadius, 6.0);
ASSERT_EQUAL_TOL((bornEnergy+nonpolarEnergy), state.getPotentialEnergy(), 0.01);
}
void testCutoffAndPeriodic() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
LangevinIntegrator integrator(0, 0.1, 0.01);
GBSAOBCForce* gbsa = new GBSAOBCForce();
NonbondedForce* nonbonded = new NonbondedForce();
gbsa->addParticle(-1, 0.15, 1);
nonbonded->addParticle(-1, 1, 0);
gbsa->addParticle(1, 0.15, 1);
nonbonded->addParticle(1, 1, 0);
const double cutoffDistance = 3.0;
const double boxSize = 10.0;
nonbonded->setCutoffDistance(cutoffDistance);
gbsa->setCutoffDistance(cutoffDistance);
system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
system.addForce(gbsa);
system.addForce(nonbonded);
vector<Vec3> positions(2);
positions[0] = Vec3(0, 0, 0);
positions[1] = Vec3(2, 0, 0);
// Calculate the forces for both cutoff and periodic with two different atom positions.
nonbonded->setNonbondedMethod(NonbondedForce::CutoffNonPeriodic);
gbsa->setNonbondedMethod(GBSAOBCForce::CutoffNonPeriodic);
ASSERT(!nonbonded->usesPeriodicBoundaryConditions());
ASSERT(!gbsa->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
Context context(system, integrator, platform);
context.setPositions(positions);
State state1 = context.getState(State::Forces);
nonbonded->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
gbsa->setNonbondedMethod(GBSAOBCForce::CutoffPeriodic);
ASSERT(nonbonded->usesPeriodicBoundaryConditions());
ASSERT(gbsa->usesPeriodicBoundaryConditions());
ASSERT(system.usesPeriodicBoundaryConditions());
context.reinitialize();
context.setPositions(positions);
State state2 = context.getState(State::Forces);
positions[1][0]+= boxSize;
nonbonded->setNonbondedMethod(NonbondedForce::CutoffNonPeriodic);
gbsa->setNonbondedMethod(GBSAOBCForce::CutoffNonPeriodic);
ASSERT(!nonbonded->usesPeriodicBoundaryConditions());
ASSERT(!gbsa->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
context.reinitialize();
context.setPositions(positions);
State state3 = context.getState(State::Forces);
nonbonded->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
gbsa->setNonbondedMethod(GBSAOBCForce::CutoffPeriodic);
ASSERT(nonbonded->usesPeriodicBoundaryConditions());
ASSERT(gbsa->usesPeriodicBoundaryConditions());
ASSERT(system.usesPeriodicBoundaryConditions());
context.reinitialize();
context.setPositions(positions);
State state4 = context.getState(State::Forces);
// All forces should be identical, exception state3 which should be zero.
ASSERT_EQUAL_VEC(state1.getForces()[0], state2.getForces()[0], 0.01);
ASSERT_EQUAL_VEC(state1.getForces()[1], state2.getForces()[1], 0.01);
ASSERT_EQUAL_VEC(state1.getForces()[0], state4.getForces()[0], 0.01);
ASSERT_EQUAL_VEC(state1.getForces()[1], state4.getForces()[1], 0.01);
ASSERT_EQUAL_VEC(state3.getForces()[0], Vec3(0, 0, 0), 0.01);
ASSERT_EQUAL_VEC(state3.getForces()[1], Vec3(0, 0, 0), 0.01);
}
void testForce() {
const int numParticles = 10;
System system;
LangevinIntegrator integrator(0, 0.1, 0.01);
GBSAOBCForce* forceField = new GBSAOBCForce();
for (int i = 0; i < numParticles; ++i) {
system.addParticle(1.0);
forceField->addParticle(i%2 == 0 ? -1 : 1, 0.15, 1);
}
system.addForce(forceField);
Context context(system, integrator, platform);
// Set random positions for all the particles.
vector<Vec3> positions(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < numParticles; ++i)
positions[i] = Vec3(5.0*genrand_real2(sfmt), 5.0*genrand_real2(sfmt), 5.0*genrand_real2(sfmt));
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
// Take a small step in the direction of the energy gradient and see whether the potential energy changes by the expected amount.
double norm = 0.0;
for (int i = 0; i < numParticles; ++i) {
Vec3 f = state.getForces()[i];
norm += f[0]*f[0] + f[1]*f[1] + f[2]*f[2];
}
norm = std::sqrt(norm);
const double delta = 1e-2;
double step = 0.5*delta/norm;
vector<Vec3> positions2(numParticles), positions3(numParticles);
for (int i = 0; i < numParticles; ++i) {
Vec3 p = positions[i];
Vec3 f = state.getForces()[i];
positions2[i] = Vec3(p[0]-f[0]*step, p[1]-f[1]*step, p[2]-f[2]*step);
positions3[i] = Vec3(p[0]+f[0]*step, p[1]+f[1]*step, p[2]+f[2]*step);
}
context.setPositions(positions2);
State state2 = context.getState(State::Energy);
context.setPositions(positions3);
State state3 = context.getState(State::Energy);
ASSERT_EQUAL_TOL(norm, (state2.getPotentialEnergy()-state3.getPotentialEnergy())/delta, 1e-3)
}
int main() {
try {
testSingleParticle();
testGlobalSettings();
testCutoffAndPeriodic();
testForce();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
void runPlatformTests() {
}
platforms/reference/tests/TestReferenceHarmonicAngleForce.cpp
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......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -29,85 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests all the different force terms in the reference implementation of HarmonicAngleForce.
*/
#include "ReferenceTests.h"
#include "TestHarmonicAngleForce.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/HarmonicAngleForce.h"
#include "openmm/System.h"
#include "openmm/VerletIntegrator.h"
#include "SimTKOpenMMRealType.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
const double TOL = 1e-5;
void testAngles() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
VerletIntegrator integrator(0.01);
HarmonicAngleForce* forceField = new HarmonicAngleForce();
forceField->addAngle(0, 1, 2, PI_M/3, 1.1);
forceField->addAngle(1, 2, 3, PI_M/2, 1.2);
system.addForce(forceField);
ASSERT(!forceField->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
Context context(system, integrator, platform);
vector<Vec3> positions(4);
positions[0] = Vec3(0, 1, 0);
positions[1] = Vec3(0, 0, 0);
positions[2] = Vec3(1, 0, 0);
positions[3] = Vec3(2, 1, 0);
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
{
const vector<Vec3>& forces = state.getForces();
double torque1 = 1.1*PI_M/6;
double torque2 = 1.2*PI_M/4;
ASSERT_EQUAL_VEC(Vec3(torque1, 0, 0), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(-0.5*torque2, 0.5*torque2, 0), forces[3], TOL); // reduced by sqrt(2) due to the bond length, another sqrt(2) due to the angle
ASSERT_EQUAL_VEC(Vec3(forces[0][0]+forces[1][0]+forces[2][0]+forces[3][0], forces[0][1]+forces[1][1]+forces[2][1]+forces[3][1], forces[0][2]+forces[1][2]+forces[2][2]+forces[3][2]), Vec3(0, 0, 0), TOL);
ASSERT_EQUAL_TOL(0.5*1.1*(PI_M/6)*(PI_M/6) + 0.5*1.2*(PI_M/4)*(PI_M/4), state.getPotentialEnergy(), TOL);
}
// Try changing the angle parameters and make sure it's still correct.
forceField->setAngleParameters(0, 0, 1, 2, PI_M/3.1, 1.3);
forceField->setAngleParameters(1, 1, 2, 3, PI_M/2.1, 1.4);
forceField->updateParametersInContext(context);
state = context.getState(State::Forces | State::Energy);
{
const vector<Vec3>& forces = state.getForces();
double dtheta1 = (PI_M/2)-(PI_M/3.1);
double dtheta2 = (3*PI_M/4)-(PI_M/2.1);
double torque1 = 1.3*dtheta1;
double torque2 = 1.4*dtheta2;
ASSERT_EQUAL_VEC(Vec3(torque1, 0, 0), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(-0.5*torque2, 0.5*torque2, 0), forces[3], TOL); // reduced by sqrt(2) due to the bond length, another sqrt(2) due to the angle
ASSERT_EQUAL_VEC(Vec3(forces[0][0]+forces[1][0]+forces[2][0]+forces[3][0], forces[0][1]+forces[1][1]+forces[2][1]+forces[3][1], forces[0][2]+forces[1][2]+forces[2][2]+forces[3][2]), Vec3(0, 0, 0), TOL);
ASSERT_EQUAL_TOL(0.5*1.3*dtheta1*dtheta1 + 0.5*1.4*dtheta2*dtheta2, state.getPotentialEnergy(), TOL);
}
}
int main() {
try {
testAngles();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
void runPlatformTests() {
}
platforms/reference/tests/TestReferenceHarmonicBondForce.cpp
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......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -29,79 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests all the different force terms in the reference implementation of HarmonicBondForce.
*/
#include "ReferenceTests.h"
#include "TestHarmonicBondForce.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/HarmonicBondForce.h"
#include "openmm/System.h"
#include "openmm/VerletIntegrator.h"
#include "SimTKOpenMMRealType.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
const double TOL = 1e-5;
void testBonds() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
VerletIntegrator integrator(0.01);
HarmonicBondForce* forceField = new HarmonicBondForce();
forceField->addBond(0, 1, 1.5, 0.8);
forceField->addBond(1, 2, 1.2, 0.7);
system.addForce(forceField);
ASSERT(!forceField->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
Context context(system, integrator, platform);
vector<Vec3> positions(3);
positions[0] = Vec3(0, 2, 0);
positions[1] = Vec3(0, 0, 0);
positions[2] = Vec3(1, 0, 0);
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
{
const vector<Vec3>& forces = state.getForces();
ASSERT_EQUAL_VEC(Vec3(0, -0.8*0.5, 0), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(0.7*0.2, 0, 0), forces[2], TOL);
ASSERT_EQUAL_VEC(Vec3(-forces[0][0]-forces[2][0], -forces[0][1]-forces[2][1], -forces[0][2]-forces[2][2]), forces[1], TOL);
ASSERT_EQUAL_TOL(0.5*0.8*0.5*0.5 + 0.5*0.7*0.2*0.2, state.getPotentialEnergy(), TOL);
}
// Try changing the bond parameters and make sure it's still correct.
forceField->setBondParameters(0, 0, 1, 1.6, 0.9);
forceField->setBondParameters(1, 1, 2, 1.3, 0.8);
forceField->updateParametersInContext(context);
state = context.getState(State::Forces | State::Energy);
{
const vector<Vec3>& forces = state.getForces();
ASSERT_EQUAL_VEC(Vec3(0, -0.9*0.4, 0), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(0.8*0.3, 0, 0), forces[2], TOL);
ASSERT_EQUAL_VEC(Vec3(-forces[0][0]-forces[2][0], -forces[0][1]-forces[2][1], -forces[0][2]-forces[2][2]), forces[1], TOL);
ASSERT_EQUAL_TOL(0.5*0.9*0.4*0.4 + 0.5*0.8*0.3*0.3, state.getPotentialEnergy(), TOL);
}
}
int main() {
try {
cout << "Running test..." << endl;
testBonds();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
cout << "FAIL - ERROR. Test failed." << endl;
return 1;
}
cout << "PASS - Test succeeded." << endl;
return 0;
void runPlatformTests() {
}
platforms/reference/tests/TestReferenceLangevinIntegrator.cpp
View file @ 5e1a87fb
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -29,248 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests the reference implementation of LangevinIntegrator.
*/
#include "ReferenceTests.h"
#include "TestLangevinIntegrator.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/HarmonicBondForce.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/LangevinIntegrator.h"
#include "SimTKOpenMMRealType.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
const double TOL = 1e-5;
void testSingleBond() {
System system;
system.addParticle(2.0);
system.addParticle(2.0);
LangevinIntegrator integrator(0, 0.1, 0.01);
HarmonicBondForce* forceField = new HarmonicBondForce();
forceField->addBond(0, 1, 1.5, 1);
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(2);
positions[0] = Vec3(-1, 0, 0);
positions[1] = Vec3(1, 0, 0);
context.setPositions(positions);
// This is simply a damped harmonic oscillator, so compare it to the analytical solution.
double freq = std::sqrt(1-0.05*0.05);
for (int i = 0; i < 1000; ++i) {
State state = context.getState(State::Positions | State::Velocities);
double time = state.getTime();
double expectedDist = 1.5+0.5*std::exp(-0.05*time)*std::cos(freq*time);
ASSERT_EQUAL_VEC(Vec3(-0.5*expectedDist, 0, 0), state.getPositions()[0], 0.02);
ASSERT_EQUAL_VEC(Vec3(0.5*expectedDist, 0, 0), state.getPositions()[1], 0.02);
double expectedSpeed = -0.5*std::exp(-0.05*time)*(0.05*std::cos(freq*time)+freq*std::sin(freq*time));
ASSERT_EQUAL_VEC(Vec3(-0.5*expectedSpeed, 0, 0), state.getVelocities()[0], 0.02);
ASSERT_EQUAL_VEC(Vec3(0.5*expectedSpeed, 0, 0), state.getVelocities()[1], 0.02);
integrator.step(1);
}
// Not set the friction to a tiny value and see if it conserves energy.
integrator.setFriction(5e-5);
context.setPositions(positions);
State state = context.getState(State::Energy);
double initialEnergy = state.getKineticEnergy()+state.getPotentialEnergy();
for (int i = 0; i < 1000; ++i) {
state = context.getState(State::Energy);
double energy = state.getKineticEnergy()+state.getPotentialEnergy();
ASSERT_EQUAL_TOL(initialEnergy, energy, 0.01);
integrator.step(1);
}
}
void testTemperature() {
const int numParticles = 8;
const double temp = 100.0;
System system;
LangevinIntegrator integrator(temp, 2.0, 0.01);
NonbondedForce* forceField = new NonbondedForce();
for (int i = 0; i < numParticles; ++i) {
system.addParticle(2.0);
forceField->addParticle((i%2 == 0 ? 1.0 : -1.0), 1.0, 5.0);
}
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(numParticles);
for (int i = 0; i < numParticles; ++i)
positions[i] = Vec3((i%2 == 0 ? 2 : -2), (i%4 < 2 ? 2 : -2), (i < 4 ? 2 : -2));
context.setPositions(positions);
// Let it equilibrate.
integrator.step(10000);
// Now run it for a while and see if the temperature is correct.
double ke = 0.0;
for (int i = 0; i < 10000; ++i) {
State state = context.getState(State::Energy);
ke += state.getKineticEnergy();
integrator.step(1);
}
ke /= 10000;
double expected = 0.5*numParticles*3*BOLTZ*temp;
ASSERT_USUALLY_EQUAL_TOL(expected, ke, 6/std::sqrt(10000.0));
}
void testConstraints() {
const int numParticles = 8;
const double temp = 100.0;
System system;
LangevinIntegrator integrator(temp, 2.0, 0.01);
integrator.setConstraintTolerance(1e-5);
NonbondedForce* forceField = new NonbondedForce();
for (int i = 0; i < numParticles; ++i) {
system.addParticle(10.0);
forceField->addParticle((i%2 == 0 ? 0.2 : -0.2), 0.5, 5.0);
}
for (int i = 0; i < numParticles-1; ++i)
system.addConstraint(i, i+1, 1.0);
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(numParticles);
vector<Vec3> velocities(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < numParticles; ++i) {
positions[i] = Vec3(i/2, (i+1)/2, 0);
velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
}
context.setPositions(positions);
context.setVelocities(velocities);
// Simulate it and see whether the constraints remain satisfied.
for (int i = 0; i < 1000; ++i) {
State state = context.getState(State::Positions);
for (int j = 0; j < numParticles-1; ++j) {
Vec3 p1 = state.getPositions()[j];
Vec3 p2 = state.getPositions()[j+1];
double dist = std::sqrt((p1[0]-p2[0])*(p1[0]-p2[0])+(p1[1]-p2[1])*(p1[1]-p2[1])+(p1[2]-p2[2])*(p1[2]-p2[2]));
ASSERT_EQUAL_TOL(1.0, dist, 2e-5);
}
integrator.step(1);
}
}
void testConstrainedMasslessParticles() {
System system;
system.addParticle(0.0);
system.addParticle(1.0);
system.addConstraint(0, 1, 1.5);
vector<Vec3> positions(2);
positions[0] = Vec3(-1, 0, 0);
positions[1] = Vec3(1, 0, 0);
LangevinIntegrator integrator(300.0, 2.0, 0.01);
bool failed = false;
try {
// This should throw an exception.
Context context(system, integrator, platform);
}
catch (exception& ex) {
failed = true;
}
ASSERT(failed);
// Now make both particles massless, which should work.
system.setParticleMass(1, 0.0);
Context context(system, integrator, platform);
context.setPositions(positions);
context.setVelocitiesToTemperature(300.0);
integrator.step(1);
State state = context.getState(State::Velocities | State::Positions);
ASSERT_EQUAL(0.0, state.getVelocities()[0][0]);
}
void testRandomSeed() {
const int numParticles = 8;
const double temp = 100.0;
const double collisionFreq = 10.0;
System system;
LangevinIntegrator integrator(temp, 2.0, 0.01);
NonbondedForce* forceField = new NonbondedForce();
for (int i = 0; i < numParticles; ++i) {
system.addParticle(2.0);
forceField->addParticle((i%2 == 0 ? 1.0 : -1.0), 1.0, 5.0);
}
system.addForce(forceField);
vector<Vec3> positions(numParticles);
vector<Vec3> velocities(numParticles);
for (int i = 0; i < numParticles; ++i) {
positions[i] = Vec3((i%2 == 0 ? 2 : -2), (i%4 < 2 ? 2 : -2), (i < 4 ? 2 : -2));
velocities[i] = Vec3(0, 0, 0);
}
// Try twice with the same random seed.
integrator.setRandomNumberSeed(5);
Context context(system, integrator, platform);
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state1 = context.getState(State::Positions);
context.reinitialize();
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state2 = context.getState(State::Positions);
// Try twice with a different random seed.
integrator.setRandomNumberSeed(10);
context.reinitialize();
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state3 = context.getState(State::Positions);
context.reinitialize();
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state4 = context.getState(State::Positions);
// Compare the results.
for (int i = 0; i < numParticles; i++) {
for (int j = 0; j < 3; j++) {
ASSERT(state1.getPositions()[i][j] == state2.getPositions()[i][j]);
ASSERT(state3.getPositions()[i][j] == state4.getPositions()[i][j]);
ASSERT(state1.getPositions()[i][j] != state3.getPositions()[i][j]);
}
}
}
int main() {
try {
testSingleBond();
testTemperature();
testConstraints();
testConstrainedMasslessParticles();
testRandomSeed();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
void runPlatformTests() {
}
platforms/reference/tests/TestReferenceLocalEnergyMinimizer.cpp
View file @ 5e1a87fb
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
......@@ -7,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010-2015 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -30,185 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "openmm/internal/AssertionUtilities.h"
#include "ReferencePlatform.h"
#include "openmm/Context.h"
#include "openmm/HarmonicBondForce.h"
#include "openmm/LocalEnergyMinimizer.h"
#include "openmm/NonbondedForce.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/VirtualSite.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
void testHarmonicBonds() {
const int numParticles = 10;
System system;
HarmonicBondForce* bonds = new HarmonicBondForce();
system.addForce(bonds);
// Create a chain of particles connected by harmonic bonds.
vector<Vec3> positions(numParticles);
for (int i = 0; i < numParticles; i++) {
system.addParticle(1.0);
positions[i] = Vec3(i, 0, 0);
if (i > 0)
bonds->addBond(i-1, i, 1+0.1*i, 1);
}
// Minimize it and check that all bonds are at their equilibrium distances.
VerletIntegrator integrator(0.01);
Context context(system, integrator, platform);
context.setPositions(positions);
LocalEnergyMinimizer::minimize(context, 1e-5);
State state = context.getState(State::Positions);
for (int i = 1; i < numParticles; i++) {
Vec3 delta = state.getPositions()[i]-state.getPositions()[i-1];
ASSERT_EQUAL_TOL(1+0.1*i, sqrt(delta.dot(delta)), 1e-4);
}
}
void testLargeSystem() {
const int numMolecules = 25;
const int numParticles = numMolecules*2;
const double cutoff = 2.0;
const double boxSize = 4.0;
const double tolerance = 5;
System system;
system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
NonbondedForce* nonbonded = new NonbondedForce();
nonbonded->setCutoffDistance(cutoff);
nonbonded->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
system.addForce(nonbonded);
// Create a cloud of molecules.
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
vector<Vec3> positions(numParticles);
for (int i = 0; i < numMolecules; i++) {
system.addParticle(1.0);
system.addParticle(1.0);
nonbonded->addParticle(-1.0, 0.2, 0.2);
nonbonded->addParticle(1.0, 0.2, 0.2);
positions[2*i] = Vec3(boxSize*genrand_real2(sfmt), boxSize*genrand_real2(sfmt), boxSize*genrand_real2(sfmt));
positions[2*i+1] = Vec3(positions[2*i][0]+1.0, positions[2*i][1], positions[2*i][2]);
system.addConstraint(2*i, 2*i+1, 1.0);
}
// Minimize it and verify that the energy has decreased.
VerletIntegrator integrator(0.01);
Context context(system, integrator, platform);
context.setPositions(positions);
State initialState = context.getState(State::Forces | State::Energy);
LocalEnergyMinimizer::minimize(context, tolerance);
State finalState = context.getState(State::Forces | State::Energy | State::Positions);
ASSERT(finalState.getPotentialEnergy() < initialState.getPotentialEnergy());
// Compute the force magnitude, subtracting off any component parallel to a constraint, and
// check that it satisfies the requested tolerance.
double forceNorm = 0.0;
for (int i = 0; i < numParticles; i += 2) {
Vec3 dir = finalState.getPositions()[i+1]-finalState.getPositions()[i];
double distance = sqrt(dir.dot(dir));
dir *= 1.0/distance;
Vec3 f = finalState.getForces()[i];
f -= dir*dir.dot(f);
forceNorm += f.dot(f);
f = finalState.getForces()[i+1];
f -= dir*dir.dot(f);
forceNorm += f.dot(f);
}
forceNorm = sqrt(forceNorm/(5*numMolecules));
ASSERT(forceNorm < 2*tolerance);
}
void testVirtualSites() {
const int numMolecules = 25;
const int numParticles = numMolecules*3;
const double cutoff = 2.0;
const double boxSize = 4.0;
const double tolerance = 5;
System system;
system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
NonbondedForce* nonbonded = new NonbondedForce();
nonbonded->setCutoffDistance(cutoff);
nonbonded->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
system.addForce(nonbonded);
// Create a cloud of molecules.
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
vector<Vec3> positions(numParticles);
for (int i = 0; i < numMolecules; i++) {
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(0.0);
nonbonded->addParticle(-1.0, 0.2, 0.2);
nonbonded->addParticle(0.5, 0.2, 0.2);
nonbonded->addParticle(0.5, 0.2, 0.2);
positions[3*i] = Vec3(boxSize*genrand_real2(sfmt), boxSize*genrand_real2(sfmt), boxSize*genrand_real2(sfmt));
positions[3*i+1] = Vec3(positions[3*i][0]+1.0, positions[3*i][1], positions[3*i][2]);
positions[3*i+2] = Vec3();
system.addConstraint(3*i, 3*i+1, 1.0);
system.setVirtualSite(3*i+2, new TwoParticleAverageSite(3*i, 3*i+1, 0.5, 0.5));
}
// Minimize it and verify that the energy has decreased.
VerletIntegrator integrator(0.01);
Context context(system, integrator, platform);
context.setPositions(positions);
context.applyConstraints(1e-5);
State initialState = context.getState(State::Forces | State::Energy);
LocalEnergyMinimizer::minimize(context, tolerance);
State finalState = context.getState(State::Forces | State::Energy | State::Positions);
ASSERT(finalState.getPotentialEnergy() < initialState.getPotentialEnergy());
// Compute the force magnitude, subtracting off any component parallel to a constraint, and
// check that it satisfies the requested tolerance.
double forceNorm = 0.0;
for (int i = 0; i < numParticles; i += 3) {
Vec3 dir = finalState.getPositions()[i+1]-finalState.getPositions()[i];
double distance = sqrt(dir.dot(dir));
dir *= 1.0/distance;
Vec3 f = finalState.getForces()[i];
f -= dir*dir.dot(f);
forceNorm += f.dot(f);
f = finalState.getForces()[i+1];
f -= dir*dir.dot(f);
forceNorm += f.dot(f);
// Check the virtual site location.
ASSERT_EQUAL_VEC((finalState.getPositions()[i+1]+finalState.getPositions()[i])*0.5, finalState.getPositions()[i+2], 1e-5);
}
forceNorm = sqrt(forceNorm/(5*numMolecules));
ASSERT(forceNorm < 2*tolerance);
}
#include "ReferenceTests.h"
#include "TestLocalEnergyMinimizer.h"
int main() {
try {
testHarmonicBonds();
testLargeSystem();
testVirtualSites();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
void runPlatformTests() {
}
platforms/reference/tests/TestReferenceMonteCarloAnisotropicBarostat.cpp
View file @ 5e1a87fb
......@@ -6,8 +6,8 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008-2013 Stanford University and the Authors. *
* Authors: Peter Eastman, Lee-Ping Wang *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
......@@ -29,454 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests the reference implementation of MonteCarloAnisotropicBarostat.
*/
#include "ReferenceTests.h"
#include "TestMonteCarloAnisotropicBarostat.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/CustomExternalForce.h"
#include "openmm/MonteCarloBarostat.h"
#include "openmm/MonteCarloAnisotropicBarostat.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/LangevinIntegrator.h"
#include "openmm/VerletIntegrator.h"
#include "sfmt/SFMT.h"
#include "SimTKOpenMMRealType.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
void testIdealGas() {
const int numParticles = 64;
const int frequency = 10;
const int steps = 1000;
const double pressure = 1.5;
const double pressureInMD = pressure*(AVOGADRO*1e-25); // pressure in kJ/mol/nm^3
const double temp[] = {300.0, 600.0, 1000.0};
const double initialVolume = numParticles*BOLTZ*temp[1]/pressureInMD;
const double initialLength = std::pow(initialVolume, 1.0/3.0);
// Create a gas of noninteracting particles.
System system;
system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, 0.5*initialLength, 0), Vec3(0, 0, 2*initialLength));
vector<Vec3> positions(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < numParticles; ++i) {
system.addParticle(1.0);
positions[i] = Vec3(initialLength*genrand_real2(sfmt), 0.5*initialLength*genrand_real2(sfmt), 2*initialLength*genrand_real2(sfmt));
}
MonteCarloAnisotropicBarostat* barostat = new MonteCarloAnisotropicBarostat(Vec3(pressure, pressure, pressure), temp[0], true, true, true, frequency);
system.addForce(barostat);
ASSERT(barostat->usesPeriodicBoundaryConditions());
ASSERT(system.usesPeriodicBoundaryConditions());
// Test it for three different temperatures.
for (int i = 0; i < 3; i++) {
barostat->setTemperature(temp[i]);
LangevinIntegrator integrator(temp[i], 0.1, 0.01);
Context context(system, integrator, platform);
context.setPositions(positions);
// Let it equilibrate.
integrator.step(10000);
// Now run it for a while and see if the volume is correct.
double volume = 0.0;
for (int j = 0; j < steps; ++j) {
Vec3 box[3];
context.getState(0).getPeriodicBoxVectors(box[0], box[1], box[2]);
volume += box[0][0]*box[1][1]*box[2][2];
integrator.step(frequency);
}
volume /= steps;
double expected = (numParticles+1)*BOLTZ*temp[i]/pressureInMD;
ASSERT_USUALLY_EQUAL_TOL(expected, volume, 3/std::sqrt((double) steps));
}
}
void testIdealGasAxis(int axis) {
// Test scaling just one axis.
const int numParticles = 64;
const int frequency = 10;
const int steps = 1000;
const double pressure = 1.5;
const double pressureInMD = pressure*(AVOGADRO*1e-25); // pressure in kJ/mol/nm^3
const double temp[] = {300.0, 600.0, 1000.0};
const double initialVolume = numParticles*BOLTZ*temp[1]/pressureInMD;
const double initialLength = std::pow(initialVolume, 1.0/3.0);
const bool scaleX = (axis == 0);
const bool scaleY = (axis == 1);
const bool scaleZ = (axis == 2);
double boxX;
double boxY;
double boxZ;
// Create a gas of noninteracting particles.
System system;
system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, 0.5*initialLength, 0), Vec3(0, 0, 2*initialLength));
vector<Vec3> positions(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < numParticles; ++i) {
system.addParticle(1.0);
positions[i] = Vec3(initialLength*genrand_real2(sfmt), 0.5*initialLength*genrand_real2(sfmt), 2*initialLength*genrand_real2(sfmt));
}
MonteCarloAnisotropicBarostat* barostat = new MonteCarloAnisotropicBarostat(Vec3(pressure, pressure, pressure), temp[0], scaleX, scaleY, scaleZ, frequency);
system.addForce(barostat);
ASSERT(barostat->usesPeriodicBoundaryConditions());
ASSERT(system.usesPeriodicBoundaryConditions());
// Test it for three different temperatures.
for (int i = 0; i < 3; i++) {
barostat->setTemperature(temp[i]);
LangevinIntegrator integrator(temp[i], 0.1, 0.01);
Context context(system, integrator, platform);
context.setPositions(positions);
// Let it equilibrate.
integrator.step(10000);
// Now run it for a while and see if the volume is correct.
double volume = 0.0;
for (int j = 0; j < steps; ++j) {
Vec3 box[3];
context.getState(0).getPeriodicBoxVectors(box[0], box[1], box[2]);
boxX = box[0][0];
boxY = box[1][1];
boxZ = box[2][2];
volume += box[0][0]*box[1][1]*box[2][2];
integrator.step(frequency);
}
volume /= steps;
double expected = (numParticles+1)*BOLTZ*temp[i]/pressureInMD;
ASSERT_USUALLY_EQUAL_TOL(expected, volume, 3/std::sqrt((double) steps));
if (!scaleX) {
ASSERT(boxX == initialLength);
}
if (!scaleY) {
ASSERT(boxY == 0.5*initialLength);
}
if (!scaleZ) {
ASSERT(boxZ == 2*initialLength);
}
}
}
void testRandomSeed() {
const int numParticles = 8;
const double temp = 100.0;
const double pressure = 1.5;
System system;
system.setDefaultPeriodicBoxVectors(Vec3(8, 0, 0), Vec3(0, 8, 0), Vec3(0, 0, 8));
VerletIntegrator integrator(0.01);
NonbondedForce* forceField = new NonbondedForce();
forceField->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
for (int i = 0; i < numParticles; ++i) {
system.addParticle(2.0);
forceField->addParticle((i%2 == 0 ? 1.0 : -1.0), 1.0, 5.0);
}
system.addForce(forceField);
MonteCarloAnisotropicBarostat* barostat = new MonteCarloAnisotropicBarostat(Vec3(pressure, pressure, pressure), temp, true, true, true, 1);
system.addForce(barostat);
ASSERT(barostat->usesPeriodicBoundaryConditions());
ASSERT(system.usesPeriodicBoundaryConditions());
vector<Vec3> positions(numParticles);
vector<Vec3> velocities(numParticles);
for (int i = 0; i < numParticles; ++i) {
positions[i] = Vec3((i%2 == 0 ? 2 : -2), (i%4 < 2 ? 2 : -2), (i < 4 ? 2 : -2));
velocities[i] = Vec3(0, 0, 0);
}
// Try twice with the same random seed.
barostat->setRandomNumberSeed(5);
Context context(system, integrator, platform);
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state1 = context.getState(State::Positions);
context.reinitialize();
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state2 = context.getState(State::Positions);
// Try twice with a different random seed.
barostat->setRandomNumberSeed(10);
context.reinitialize();
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state3 = context.getState(State::Positions);
context.reinitialize();
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state4 = context.getState(State::Positions);
// Compare the results.
for (int i = 0; i < numParticles; i++) {
for (int j = 0; j < 3; j++) {
ASSERT(state1.getPositions()[i][j] == state2.getPositions()[i][j]);
ASSERT(state3.getPositions()[i][j] == state4.getPositions()[i][j]);
ASSERT(state1.getPositions()[i][j] != state3.getPositions()[i][j]);
}
}
void runPlatformTests() {
}
void testTriclinic() {
const int numParticles = 64;
const int frequency = 10;
const int steps = 1000;
const double pressure = 1.5;
const double pressureInMD = pressure*(AVOGADRO*1e-25); // pressure in kJ/mol/nm^3
const double temperature = 300.0;
const double initialVolume = numParticles*BOLTZ*temperature/pressureInMD;
const double initialLength = std::pow(initialVolume, 1.0/3.0);
// Create a gas of noninteracting particles.
System system;
Vec3 initialBox[3];
initialBox[0] = Vec3(initialLength, 0, 0);
initialBox[1] = Vec3(0.2*initialLength, initialLength, 0);
initialBox[2] = Vec3(0.1*initialLength, 0.3*initialLength, initialLength);
system.setDefaultPeriodicBoxVectors(initialBox[0], initialBox[1], initialBox[2]);
vector<Vec3> positions(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < numParticles; ++i) {
system.addParticle(1.0);
positions[i] = Vec3(initialLength*genrand_real2(sfmt), initialLength*genrand_real2(sfmt), initialLength*genrand_real2(sfmt));
}
MonteCarloAnisotropicBarostat* barostat = new MonteCarloAnisotropicBarostat(Vec3(pressure, pressure, pressure), temperature, true, true, true, frequency);
system.addForce(barostat);
// Run a simulation
LangevinIntegrator integrator(temperature, 0.1, 0.01);
Context context(system, integrator, platform);
context.setPositions(positions);
// Let it equilibrate.
integrator.step(10000);
// Now run it for a while and see if the volume is correct.
double volume = 0.0;
for (int j = 0; j < steps; ++j) {
Vec3 box[3];
context.getState(0).getPeriodicBoxVectors(box[0], box[1], box[2]);
volume += box[0][0]*box[1][1]*box[2][2];
integrator.step(frequency);
}
volume /= steps;
double expected = (numParticles+1)*BOLTZ*temperature/pressureInMD;
ASSERT_USUALLY_EQUAL_TOL(expected, volume, 3/std::sqrt((double) steps));
// Make sure the box vectors have been scaled consistently.
State state = context.getState(State::Positions);
Vec3 box[3];
state.getPeriodicBoxVectors(box[0], box[1], box[2]);
double xscale = box[2][0]/(0.1*initialLength);
double yscale = box[2][1]/(0.3*initialLength);
double zscale = box[2][2]/(1.0*initialLength);
for (int i = 0; i < 3; i++) {
ASSERT_EQUAL_VEC(Vec3(xscale*initialBox[i][0], yscale*initialBox[i][1], zscale*initialBox[i][2]), box[i], 1e-5);
}
// The barostat should have put all particles inside the first periodic box. One integration step
// has happened since then, so they may have moved slightly outside it.
for (int i = 0; i < numParticles; i++) {
Vec3 pos = state.getPositions()[i];
ASSERT(pos[2]/box[2][2] > -1 && pos[2]/box[2][2] < 2);
pos -= box[2]*floor(pos[2]/box[2][2]);
ASSERT(pos[1]/box[1][1] > -1 && pos[1]/box[1][1] < 2);
pos -= box[1]*floor(pos[1]/box[1][1]);
ASSERT(pos[0]/box[0][0] > -1 && pos[0]/box[0][0] < 2);
}
}
/**
* Run a constant pressure simulation on an anisotropic Einstein crystal
* using isotropic and anisotropic barostats. There are a total of 15 simulations:
*
* 1) 3 pressures: 9.0, 10.0, 11.0 bar, for each of the following groups:
* 2) 3 groups of simulations that scale just one axis: x, y, z
* 3) 1 group of simulations that scales all three axes in the anisotropic barostat
* 4) 1 group of simulations that scales all three axes in the isotropic barostat
*
* Results that we will check:
*
* a) In each group of simulations, the volume should decrease with increasing pressure
* b) In the three simulation groups that scale just one axis, the compressibility (i.e. incremental volume change
* with increasing pressure) should go like kx > ky > kz (because the spring constant is largest in the z-direction)
* c) The anisotropic barostat should produce the same result as the isotropic barostat when all three axes are scaled
*/
void testEinsteinCrystal() {
const int numParticles = 64;
const int frequency = 2;
const int equil = 10000;
const int steps = 5000;
const double pressure = 10.0;
const double pressureInMD = pressure*(AVOGADRO*1e-25); // pressure in kJ/mol/nm^3
const double temp = 300.0; // Only test one temperature since we're looking at three pressures.
const double pres3[] = {2.0, 8.0, 15.0};
const double initialVolume = numParticles*BOLTZ*temp/pressureInMD;
const double initialLength = std::pow(initialVolume, 1.0/3.0);
vector<double> initialPositions(3);
vector<double> results;
// Run four groups of anisotropic simulations; scaling just x, y, z, then all three.
for (int a = 0; a < 4; a++) {
// Test barostat for three different pressures.
for (int p = 0; p < 3; p++) {
// Create a system of noninteracting particles attached by harmonic springs to their initial positions.
System system;
system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, initialLength, 0), Vec3(0, 0, initialLength));
vector<Vec3> positions(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
// Anisotropic force constants.
CustomExternalForce* force = new CustomExternalForce("0.005*(x-x0)^2 + 0.01*(y-y0)^2 + 0.02*(z-z0)^2");
force->addPerParticleParameter("x0");
force->addPerParticleParameter("y0");
force->addPerParticleParameter("z0");
NonbondedForce* nb = new NonbondedForce();
nb->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
for (int i = 0; i < numParticles; ++i) {
system.addParticle(1.0);
positions[i] = Vec3(((i/16)%4+0.5)*initialLength/4, ((i/4)%4+0.5)*initialLength/4, (i%4+0.5)*initialLength/4);
initialPositions[0] = positions[i][0];
initialPositions[1] = positions[i][1];
initialPositions[2] = positions[i][2];
force->addParticle(i, initialPositions);
nb->addParticle(0, initialLength/6, 0.1);
}
system.addForce(force);
system.addForce(nb);
// Create the barostat.
MonteCarloAnisotropicBarostat* barostat = new MonteCarloAnisotropicBarostat(Vec3(pres3[p], pres3[p], pres3[p]), temp, (a==0||a==3), (a==1||a==3), (a==2||a==3), frequency);
system.addForce(barostat);
barostat->setTemperature(temp);
LangevinIntegrator integrator(temp, 0.1, 0.01);
Context context(system, integrator, platform);
context.setPositions(positions);
// Let it equilibrate.
integrator.step(equil);
// Now run it for a while and see if the volume is correct.
double volume = 0.0;
for (int j = 0; j < steps; ++j) {
Vec3 box[3];
context.getState(0).getPeriodicBoxVectors(box[0], box[1], box[2]);
volume += box[0][0]*box[1][1]*box[2][2];
integrator.step(frequency);
}
volume /= steps;
results.push_back(volume);
}
}
for (int p = 0; p < 3; p++) {
// Create a system of noninteracting particles attached by harmonic springs to their initial positions.
System system;
system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, initialLength, 0), Vec3(0, 0, initialLength));
vector<Vec3> positions(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
// Anisotropic force constants.
CustomExternalForce* force = new CustomExternalForce("0.005*(x-x0)^2 + 0.01*(y-y0)^2 + 0.02*(z-z0)^2");
force->addPerParticleParameter("x0");
force->addPerParticleParameter("y0");
force->addPerParticleParameter("z0");
NonbondedForce* nb = new NonbondedForce();
nb->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
for (int i = 0; i < numParticles; ++i) {
system.addParticle(1.0);
positions[i] = Vec3(((i/16)%4+0.5)*initialLength/4, ((i/4)%4+0.5)*initialLength/4, (i%4+0.5)*initialLength/4);
initialPositions[0] = positions[i][0];
initialPositions[1] = positions[i][1];
initialPositions[2] = positions[i][2];
force->addParticle(i, initialPositions);
nb->addParticle(0, initialLength/6, 0.1);
}
system.addForce(force);
system.addForce(nb);
// Create the barostat.
MonteCarloBarostat* barostat = new MonteCarloBarostat(pres3[p], temp, frequency);
system.addForce(barostat);
barostat->setTemperature(temp);
LangevinIntegrator integrator(temp, 0.1, 0.001);
Context context(system, integrator, platform);
context.setPositions(positions);
// Let it equilibrate.
integrator.step(equil);
// Now run it for a while and see if the volume is correct.
double volume = 0.0;
for (int j = 0; j < steps; ++j) {
Vec3 box[3];
context.getState(0).getPeriodicBoxVectors(box[0], box[1], box[2]);
volume += box[0][0]*box[1][1]*box[2][2];
integrator.step(frequency);
}
volume /= steps;
results.push_back(volume);
}
// Check to see if volumes decrease with increasing pressure.
ASSERT_USUALLY_TRUE(results[0] > results[1]);
ASSERT_USUALLY_TRUE(results[1] > results[2]);
ASSERT_USUALLY_TRUE(results[3] > results[4]);
ASSERT_USUALLY_TRUE(results[4] > results[5]);
ASSERT_USUALLY_TRUE(results[6] > results[7]);
ASSERT_USUALLY_TRUE(results[7] > results[8]);
// Check to see if incremental volume changes with increasing pressure go like kx > ky > kz.
ASSERT_USUALLY_TRUE((results[0] - results[1]) > (results[3] - results[4]));
ASSERT_USUALLY_TRUE((results[1] - results[2]) > (results[4] - results[5]));
ASSERT_USUALLY_TRUE((results[3] - results[4]) > (results[6] - results[7]));
ASSERT_USUALLY_TRUE((results[4] - results[5]) > (results[7] - results[8]));
// Check to see if the volumes are equal for isotropic and anisotropic (all axis).
ASSERT_USUALLY_EQUAL_TOL(results[9], results[12], 3/std::sqrt((double) steps));
ASSERT_USUALLY_EQUAL_TOL(results[10], results[13], 3/std::sqrt((double) steps));
ASSERT_USUALLY_EQUAL_TOL(results[11], results[14], 3/std::sqrt((double) steps));
}
int main() {
try {
testIdealGas();
testIdealGasAxis(0);
testIdealGasAxis(1);
testIdealGasAxis(2);
testRandomSeed();
testTriclinic();
//testEinsteinCrystal();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
}
platforms/reference/tests/TestReferenceMonteCarloBarostat.cpp
View file @ 5e1a87fb
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008-2010 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -29,196 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests the reference implementation of MonteCarloBarostat.
*/
#include "ReferenceTests.h"
#include "TestMonteCarloBarostat.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/MonteCarloBarostat.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/LangevinIntegrator.h"
#include "openmm/VerletIntegrator.h"
#include "sfmt/SFMT.h"
#include "SimTKOpenMMRealType.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
void testChangingBoxSize() {
System system;
system.setDefaultPeriodicBoxVectors(Vec3(4, 0, 0), Vec3(0, 5, 0), Vec3(0, 0, 6));
system.addParticle(1.0);
NonbondedForce* nb = new NonbondedForce();
nb->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
nb->setCutoffDistance(2.0);
nb->addParticle(1, 0.5, 0.5);
system.addForce(nb);
LangevinIntegrator integrator(300.0, 1.0, 0.01);
Context context(system, integrator, platform);
vector<Vec3> positions;
positions.push_back(Vec3());
context.setPositions(positions);
Vec3 x, y, z;
context.getState(State::Forces).getPeriodicBoxVectors(x, y, z);
ASSERT_EQUAL_VEC(Vec3(4, 0, 0), x, 0);
ASSERT_EQUAL_VEC(Vec3(0, 5, 0), y, 0);
ASSERT_EQUAL_VEC(Vec3(0, 0, 6), z, 0);
context.setPeriodicBoxVectors(Vec3(7, 0, 0), Vec3(0, 8, 0), Vec3(0, 0, 9));
context.getState(State::Forces).getPeriodicBoxVectors(x, y, z);
ASSERT_EQUAL_VEC(Vec3(7, 0, 0), x, 0);
ASSERT_EQUAL_VEC(Vec3(0, 8, 0), y, 0);
ASSERT_EQUAL_VEC(Vec3(0, 0, 9), z, 0);
// Shrinking the box too small should produce an exception.
context.setPeriodicBoxVectors(Vec3(7, 0, 0), Vec3(0, 3.9, 0), Vec3(0, 0, 9));
bool ok = true;
try {
context.getState(State::Forces).getPeriodicBoxVectors(x, y, z);
ok = false;
}
catch (exception& ex) {
}
ASSERT(ok);
}
void testIdealGas() {
const int numParticles = 64;
const int frequency = 10;
const int steps = 1000;
const double pressure = 1.5;
const double pressureInMD = pressure*(AVOGADRO*1e-25); // pressure in kJ/mol/nm^3
const double temp[] = {300.0, 600.0, 1000.0};
const double initialVolume = numParticles*BOLTZ*temp[1]/pressureInMD;
const double initialLength = std::pow(initialVolume, 1.0/3.0);
// Create a gas of noninteracting particles.
System system;
system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, 0.5*initialLength, 0), Vec3(0, 0, 2*initialLength));
vector<Vec3> positions(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < numParticles; ++i) {
system.addParticle(1.0);
positions[i] = Vec3(initialLength*genrand_real2(sfmt), 0.5*initialLength*genrand_real2(sfmt), 2*initialLength*genrand_real2(sfmt));
}
MonteCarloBarostat* barostat = new MonteCarloBarostat(pressure, temp[0], frequency);
system.addForce(barostat);
ASSERT(barostat->usesPeriodicBoundaryConditions());
ASSERT(system.usesPeriodicBoundaryConditions());
// Test it for three different temperatures.
for (int i = 0; i < 3; i++) {
barostat->setTemperature(temp[i]);
LangevinIntegrator integrator(temp[i], 0.1, 0.01);
Context context(system, integrator, platform);
context.setPositions(positions);
// Let it equilibrate.
integrator.step(10000);
// Now run it for a while and see if the volume is correct.
double volume = 0.0;
for (int j = 0; j < steps; ++j) {
Vec3 box[3];
context.getState(0).getPeriodicBoxVectors(box[0], box[1], box[2]);
volume += box[0][0]*box[1][1]*box[2][2];
ASSERT_EQUAL_TOL(0.5*box[0][0], box[1][1], 1e-5);
ASSERT_EQUAL_TOL(2*box[0][0], box[2][2], 1e-5);
integrator.step(frequency);
}
volume /= steps;
double expected = (numParticles+1)*BOLTZ*temp[i]/pressureInMD;
ASSERT_USUALLY_EQUAL_TOL(expected, volume, 3/std::sqrt((double) steps));
}
}
void testRandomSeed() {
const int numParticles = 8;
const double temp = 100.0;
const double pressure = 1.5;
System system;
system.setDefaultPeriodicBoxVectors(Vec3(8, 0, 0), Vec3(0, 8, 0), Vec3(0, 0, 8));
VerletIntegrator integrator(0.01);
NonbondedForce* forceField = new NonbondedForce();
forceField->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
for (int i = 0; i < numParticles; ++i) {
system.addParticle(2.0);
forceField->addParticle((i%2 == 0 ? 1.0 : -1.0), 1.0, 5.0);
}
system.addForce(forceField);
MonteCarloBarostat* barostat = new MonteCarloBarostat(pressure, temp, 1);
system.addForce(barostat);
ASSERT(barostat->usesPeriodicBoundaryConditions());
ASSERT(system.usesPeriodicBoundaryConditions());
vector<Vec3> positions(numParticles);
vector<Vec3> velocities(numParticles);
for (int i = 0; i < numParticles; ++i) {
positions[i] = Vec3((i%2 == 0 ? 2 : -2), (i%4 < 2 ? 2 : -2), (i < 4 ? 2 : -2));
velocities[i] = Vec3(0, 0, 0);
}
// Try twice with the same random seed.
barostat->setRandomNumberSeed(5);
Context context(system, integrator, platform);
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state1 = context.getState(State::Positions);
context.reinitialize();
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state2 = context.getState(State::Positions);
// Try twice with a different random seed.
barostat->setRandomNumberSeed(10);
context.reinitialize();
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state3 = context.getState(State::Positions);
context.reinitialize();
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state4 = context.getState(State::Positions);
// Compare the results.
for (int i = 0; i < numParticles; i++) {
for (int j = 0; j < 3; j++) {
ASSERT(state1.getPositions()[i][j] == state2.getPositions()[i][j]);
ASSERT(state3.getPositions()[i][j] == state4.getPositions()[i][j]);
ASSERT(state1.getPositions()[i][j] != state3.getPositions()[i][j]);
}
}
void runPlatformTests() {
}
int main() {
try {
testChangingBoxSize();
testIdealGas();
testRandomSeed();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
}
platforms/reference/tests/TestReferenceNonbondedForce.cpp
View file @ 5e1a87fb
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008-2013 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -29,546 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests all the different force terms in the reference implementation of NonbondedForce.
*/
#include "ReferenceTests.h"
#include "TestNonbondedForce.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/VerletIntegrator.h"
#include "SimTKOpenMMRealType.h"
#include "openmm/HarmonicBondForce.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
const double TOL = 1e-5;
void testCoulomb() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
VerletIntegrator integrator(0.01);
NonbondedForce* forceField = new NonbondedForce();
forceField->addParticle(0.5, 1, 0);
forceField->addParticle(-1.5, 1, 0);
system.addForce(forceField);
ASSERT(!forceField->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
Context context(system, integrator, platform);
vector<Vec3> positions(2);
positions[0] = Vec3(0, 0, 0);
positions[1] = Vec3(2, 0, 0);
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces = state.getForces();
double force = ONE_4PI_EPS0*(-0.75)/4.0;
ASSERT_EQUAL_VEC(Vec3(-force, 0, 0), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(force, 0, 0), forces[1], TOL);
ASSERT_EQUAL_TOL(ONE_4PI_EPS0*(-0.75)/2.0, state.getPotentialEnergy(), TOL);
}
void testLJ() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
VerletIntegrator integrator(0.01);
NonbondedForce* forceField = new NonbondedForce();
forceField->addParticle(0, 1.2, 1);
forceField->addParticle(0, 1.4, 2);
system.addForce(forceField);
ASSERT(!forceField->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
Context context(system, integrator, platform);
vector<Vec3> positions(2);
positions[0] = Vec3(0, 0, 0);
positions[1] = Vec3(2, 0, 0);
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces = state.getForces();
double x = 1.3/2.0;
double eps = SQRT_TWO;
double force = 4.0*eps*(12*std::pow(x, 12.0)-6*std::pow(x, 6.0))/2.0;
ASSERT_EQUAL_VEC(Vec3(-force, 0, 0), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(force, 0, 0), forces[1], TOL);
ASSERT_EQUAL_TOL(4.0*eps*(std::pow(x, 12.0)-std::pow(x, 6.0)), state.getPotentialEnergy(), TOL);
}
void testExclusionsAnd14() {
System system;
VerletIntegrator integrator(0.01);
NonbondedForce* nonbonded = new NonbondedForce();
for (int i = 0; i < 5; i++) {
system.addParticle(1.0);
nonbonded->addParticle(0, 1.5, 0);
}
vector<pair<int, int> > bonds;
bonds.push_back(pair<int, int>(0, 1));
bonds.push_back(pair<int, int>(1, 2));
bonds.push_back(pair<int, int>(2, 3));
bonds.push_back(pair<int, int>(3, 4));
nonbonded->createExceptionsFromBonds(bonds, 0.0, 0.0);
int first14, second14;
for (int i = 0; i < nonbonded->getNumExceptions(); i++) {
int particle1, particle2;
double chargeProd, sigma, epsilon;
nonbonded->getExceptionParameters(i, particle1, particle2, chargeProd, sigma, epsilon);
if ((particle1 == 0 && particle2 == 3) || (particle1 == 3 && particle2 == 0))
first14 = i;
if ((particle1 == 1 && particle2 == 4) || (particle1 == 4 && particle2 == 1))
second14 = i;
}
system.addForce(nonbonded);
Context context(system, integrator, platform);
for (int i = 1; i < 5; ++i) {
// Test LJ forces
vector<Vec3> positions(5);
const double r = 1.0;
for (int j = 0; j < 5; ++j) {
nonbonded->setParticleParameters(j, 0, 1.5, 0);
positions[j] = Vec3(0, j, 0);
}
nonbonded->setParticleParameters(0, 0, 1.5, 1);
nonbonded->setParticleParameters(i, 0, 1.5, 1);
nonbonded->setExceptionParameters(first14, 0, 3, 0, 1.5, i == 3 ? 0.5 : 0.0);
nonbonded->setExceptionParameters(second14, 1, 4, 0, 1.5, 0.0);
positions[i] = Vec3(r, 0, 0);
context.reinitialize();
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces = state.getForces();
double x = 1.5/r;
double eps = 1.0;
double force = 4.0*eps*(12*std::pow(x, 12.0)-6*std::pow(x, 6.0))/r;
double energy = 4.0*eps*(std::pow(x, 12.0)-std::pow(x, 6.0));
if (i == 3) {
force *= 0.5;
energy *= 0.5;
}
if (i < 3) {
force = 0;
energy = 0;
}
ASSERT_EQUAL_VEC(Vec3(-force, 0, 0), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(force, 0, 0), forces[i], TOL);
ASSERT_EQUAL_TOL(energy, state.getPotentialEnergy(), TOL);
// Test Coulomb forces
nonbonded->setParticleParameters(0, 2, 1.5, 0);
nonbonded->setParticleParameters(i, 2, 1.5, 0);
nonbonded->setExceptionParameters(first14, 0, 3, i == 3 ? 4/1.2 : 0, 1.5, 0);
nonbonded->setExceptionParameters(second14, 1, 4, 0, 1.5, 0);
nonbonded->updateParametersInContext(context);
state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces2 = state.getForces();
force = ONE_4PI_EPS0*4/(r*r);
energy = ONE_4PI_EPS0*4/r;
if (i == 3) {
force /= 1.2;
energy /= 1.2;
}
if (i < 3) {
force = 0;
energy = 0;
}
ASSERT_EQUAL_VEC(Vec3(-force, 0, 0), forces2[0], TOL);
ASSERT_EQUAL_VEC(Vec3(force, 0, 0), forces2[i], TOL);
ASSERT_EQUAL_TOL(energy, state.getPotentialEnergy(), TOL);
}
}
void testCutoff() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
VerletIntegrator integrator(0.01);
NonbondedForce* forceField = new NonbondedForce();
forceField->addParticle(1.0, 1, 0);
forceField->addParticle(1.0, 1, 0);
forceField->addParticle(1.0, 1, 0);
forceField->setNonbondedMethod(NonbondedForce::CutoffNonPeriodic);
const double cutoff = 2.9;
forceField->setCutoffDistance(cutoff);
const double eps = 50.0;
forceField->setReactionFieldDielectric(eps);
system.addForce(forceField);
ASSERT(!forceField->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
Context context(system, integrator, platform);
vector<Vec3> positions(3);
positions[0] = Vec3(0, 0, 0);
positions[1] = Vec3(0, 2, 0);
positions[2] = Vec3(0, 3, 0);
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces = state.getForces();
const double krf = (1.0/(cutoff*cutoff*cutoff))*(eps-1.0)/(2.0*eps+1.0);
const double crf = (1.0/cutoff)*(3.0*eps)/(2.0*eps+1.0);
const double force1 = ONE_4PI_EPS0*(1.0)*(0.25-2.0*krf*2.0);
const double force2 = ONE_4PI_EPS0*(1.0)*(1.0-2.0*krf*1.0);
ASSERT_EQUAL_VEC(Vec3(0, -force1, 0), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(0, force1-force2, 0), forces[1], TOL);
ASSERT_EQUAL_VEC(Vec3(0, force2, 0), forces[2], TOL);
const double energy1 = ONE_4PI_EPS0*(1.0)*(0.5+krf*4.0-crf);
const double energy2 = ONE_4PI_EPS0*(1.0)*(1.0+krf*1.0-crf);
ASSERT_EQUAL_TOL(energy1+energy2, state.getPotentialEnergy(), TOL);
}
void testCutoff14() {
System system;
VerletIntegrator integrator(0.01);
NonbondedForce* nonbonded = new NonbondedForce();
for (int i = 0; i < 5; i++) {
system.addParticle(1.0);
nonbonded->addParticle(0, 1.5, 0);
}
nonbonded->setNonbondedMethod(NonbondedForce::CutoffNonPeriodic);
const double cutoff = 3.5;
nonbonded->setCutoffDistance(cutoff);
const double eps = 30.0;
nonbonded->setReactionFieldDielectric(eps);
vector<pair<int, int> > bonds;
bonds.push_back(pair<int, int>(0, 1));
bonds.push_back(pair<int, int>(1, 2));
bonds.push_back(pair<int, int>(2, 3));
bonds.push_back(pair<int, int>(3, 4));
nonbonded->createExceptionsFromBonds(bonds, 0.0, 0.0);
int first14, second14;
for (int i = 0; i < nonbonded->getNumExceptions(); i++) {
int particle1, particle2;
double chargeProd, sigma, epsilon;
nonbonded->getExceptionParameters(i, particle1, particle2, chargeProd, sigma, epsilon);
if ((particle1 == 0 && particle2 == 3) || (particle1 == 3 && particle2 == 0))
first14 = i;
if ((particle1 == 1 && particle2 == 4) || (particle1 == 4 && particle2 == 1))
second14 = i;
}
system.addForce(nonbonded);
ASSERT(!nonbonded->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
Context context(system, integrator, platform);
vector<Vec3> positions(5);
positions[0] = Vec3(0, 0, 0);
positions[1] = Vec3(1, 0, 0);
positions[2] = Vec3(2, 0, 0);
positions[3] = Vec3(3, 0, 0);
positions[4] = Vec3(4, 0, 0);
for (int i = 1; i < 5; ++i) {
// Test LJ forces
nonbonded->setParticleParameters(0, 0, 1.5, 1);
for (int j = 1; j < 5; ++j)
nonbonded->setParticleParameters(j, 0, 1.5, 0);
nonbonded->setParticleParameters(i, 0, 1.5, 1);
nonbonded->setExceptionParameters(first14, 0, 3, 0, 1.5, i == 3 ? 0.5 : 0.0);
nonbonded->setExceptionParameters(second14, 1, 4, 0, 1.5, 0.0);
context.reinitialize();
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces = state.getForces();
double r = positions[i][0];
double x = 1.5/r;
double e = 1.0;
double force = 4.0*e*(12*std::pow(x, 12.0)-6*std::pow(x, 6.0))/r;
double energy = 4.0*e*(std::pow(x, 12.0)-std::pow(x, 6.0));
if (i == 3) {
force *= 0.5;
energy *= 0.5;
}
if (i < 3 || r > cutoff) {
force = 0;
energy = 0;
}
ASSERT_EQUAL_VEC(Vec3(-force, 0, 0), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(force, 0, 0), forces[i], TOL);
ASSERT_EQUAL_TOL(energy, state.getPotentialEnergy(), TOL);
// Test Coulomb forces
const double q = 0.7;
nonbonded->setParticleParameters(0, q, 1.5, 0);
nonbonded->setParticleParameters(i, q, 1.5, 0);
nonbonded->setExceptionParameters(first14, 0, 3, i == 3 ? q*q/1.2 : 0, 1.5, 0);
nonbonded->setExceptionParameters(second14, 1, 4, 0, 1.5, 0);
nonbonded->updateParametersInContext(context);
state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces2 = state.getForces();
force = ONE_4PI_EPS0*q*q/(r*r);
energy = ONE_4PI_EPS0*q*q/r;
if (i == 3) {
force /= 1.2;
energy /= 1.2;
}
if (i < 3 || r > cutoff) {
force = 0;
energy = 0;
}
ASSERT_EQUAL_VEC(Vec3(-force, 0, 0), forces2[0], TOL);
ASSERT_EQUAL_VEC(Vec3(force, 0, 0), forces2[i], TOL);
ASSERT_EQUAL_TOL(energy, state.getPotentialEnergy(), TOL);
}
}
void testPeriodic() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
VerletIntegrator integrator(0.01);
NonbondedForce* nonbonded = new NonbondedForce();
nonbonded->addParticle(1.0, 1, 0);
nonbonded->addParticle(1.0, 1, 0);
nonbonded->addParticle(1.0, 1, 0);
nonbonded->addException(0, 1, 0.0, 1.0, 0.0);
nonbonded->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
const double cutoff = 2.0;
nonbonded->setCutoffDistance(cutoff);
system.setDefaultPeriodicBoxVectors(Vec3(4, 0, 0), Vec3(0, 4, 0), Vec3(0, 0, 4));
system.addForce(nonbonded);
ASSERT(nonbonded->usesPeriodicBoundaryConditions());
ASSERT(system.usesPeriodicBoundaryConditions());
Context context(system, integrator, platform);
vector<Vec3> positions(3);
positions[0] = Vec3(0, 0, 0);
positions[1] = Vec3(2, 0, 0);
positions[2] = Vec3(3, 0, 0);
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces = state.getForces();
const double eps = 78.3;
const double krf = (1.0/(cutoff*cutoff*cutoff))*(eps-1.0)/(2.0*eps+1.0);
const double crf = (1.0/cutoff)*(3.0*eps)/(2.0*eps+1.0);
const double force = ONE_4PI_EPS0*(1.0)*(1.0-2.0*krf*1.0);
ASSERT_EQUAL_VEC(Vec3(force, 0, 0), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(-force, 0, 0), forces[1], TOL);
ASSERT_EQUAL_VEC(Vec3(0, 0, 0), forces[2], TOL);
ASSERT_EQUAL_TOL(2*ONE_4PI_EPS0*(1.0)*(1.0+krf*1.0-crf), state.getPotentialEnergy(), TOL);
}
void testTriclinic() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
Vec3 a(3.1, 0, 0);
Vec3 b(0.4, 3.5, 0);
Vec3 c(-0.1, -0.5, 4.0);
system.setDefaultPeriodicBoxVectors(a, b, c);
VerletIntegrator integrator(0.01);
NonbondedForce* nonbonded = new NonbondedForce();
nonbonded->addParticle(1.0, 1, 0);
nonbonded->addParticle(1.0, 1, 0);
nonbonded->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
const double cutoff = 1.5;
nonbonded->setCutoffDistance(cutoff);
system.addForce(nonbonded);
Context context(system, integrator, platform);
vector<Vec3> positions(2);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
const double eps = 78.3;
const double krf = (1.0/(cutoff*cutoff*cutoff))*(eps-1.0)/(2.0*eps+1.0);
const double crf = (1.0/cutoff)*(3.0*eps)/(2.0*eps+1.0);
for (int iteration = 0; iteration < 50; iteration++) {
// Generate random positions for the two particles.
positions[0] = a*genrand_real2(sfmt) + b*genrand_real2(sfmt) + c*genrand_real2(sfmt);
positions[1] = a*genrand_real2(sfmt) + b*genrand_real2(sfmt) + c*genrand_real2(sfmt);
context.setPositions(positions);
// Loop over all possible periodic copies and find the nearest one.
Vec3 delta;
double distance2 = 100.0;
for (int i = -1; i < 2; i++)
for (int j = -1; j < 2; j++)
for (int k = -1; k < 2; k++) {
Vec3 d = positions[1]-positions[0]+a*i+b*j+c*k;
if (d.dot(d) < distance2) {
delta = d;
distance2 = d.dot(d);
}
}
double distance = sqrt(distance2);
// See if the force and energy are correct.
State state = context.getState(State::Forces | State::Energy);
if (distance >= cutoff) {
ASSERT_EQUAL(0.0, state.getPotentialEnergy());
ASSERT_EQUAL_VEC(Vec3(0, 0, 0), state.getForces()[0], 0);
ASSERT_EQUAL_VEC(Vec3(0, 0, 0), state.getForces()[1], 0);
}
else {
const Vec3 force = delta*ONE_4PI_EPS0*(-1.0/(distance*distance*distance)+2.0*krf);
ASSERT_EQUAL_TOL(ONE_4PI_EPS0*(1.0/distance+krf*distance*distance-crf), state.getPotentialEnergy(), TOL);
ASSERT_EQUAL_VEC(force, state.getForces()[0], TOL);
ASSERT_EQUAL_VEC(-force, state.getForces()[1], TOL);
}
}
}
void testDispersionCorrection() {
// Create a box full of identical particles.
int gridSize = 5;
int numParticles = gridSize*gridSize*gridSize;
double boxSize = gridSize*0.7;
double cutoff = boxSize/3;
System system;
VerletIntegrator integrator(0.01);
NonbondedForce* nonbonded = new NonbondedForce();
vector<Vec3> positions(numParticles);
int index = 0;
for (int i = 0; i < gridSize; i++)
for (int j = 0; j < gridSize; j++)
for (int k = 0; k < gridSize; k++) {
system.addParticle(1.0);
nonbonded->addParticle(0, 1.1, 0.5);
positions[index] = Vec3(i*boxSize/gridSize, j*boxSize/gridSize, k*boxSize/gridSize);
index++;
}
nonbonded->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
nonbonded->setCutoffDistance(cutoff);
system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
system.addForce(nonbonded);
ASSERT(nonbonded->usesPeriodicBoundaryConditions());
ASSERT(system.usesPeriodicBoundaryConditions());
// See if the correction has the correct value.
Context context(system, integrator, platform);
context.setPositions(positions);
double energy1 = context.getState(State::Energy).getPotentialEnergy();
nonbonded->setUseDispersionCorrection(false);
context.reinitialize();
context.setPositions(positions);
double energy2 = context.getState(State::Energy).getPotentialEnergy();
double term1 = (0.5*pow(1.1, 12)/pow(cutoff, 9))/9;
double term2 = (0.5*pow(1.1, 6)/pow(cutoff, 3))/3;
double expected = 8*M_PI*numParticles*numParticles*(term1-term2)/(boxSize*boxSize*boxSize);
ASSERT_EQUAL_TOL(expected, energy1-energy2, 1e-4);
// Now modify half the particles to be different, and see if it is still correct.
int numType2 = 0;
for (int i = 0; i < numParticles; i += 2) {
nonbonded->setParticleParameters(i, 0, 1, 1);
numType2++;
}
int numType1 = numParticles-numType2;
nonbonded->updateParametersInContext(context);
energy2 = context.getState(State::Energy).getPotentialEnergy();
nonbonded->setUseDispersionCorrection(true);
context.reinitialize();
context.setPositions(positions);
energy1 = context.getState(State::Energy).getPotentialEnergy();
term1 = ((numType1*(numType1+1))/2)*(0.5*pow(1.1, 12)/pow(cutoff, 9))/9;
term2 = ((numType1*(numType1+1))/2)*(0.5*pow(1.1, 6)/pow(cutoff, 3))/3;
term1 += ((numType2*(numType2+1))/2)*(1*pow(1.0, 12)/pow(cutoff, 9))/9;
term2 += ((numType2*(numType2+1))/2)*(1*pow(1.0, 6)/pow(cutoff, 3))/3;
double combinedSigma = 0.5*(1+1.1);
double combinedEpsilon = sqrt(1*0.5);
term1 += (numType1*numType2)*(combinedEpsilon*pow(combinedSigma, 12)/pow(cutoff, 9))/9;
term2 += (numType1*numType2)*(combinedEpsilon*pow(combinedSigma, 6)/pow(cutoff, 3))/3;
term1 /= (numParticles*(numParticles+1))/2;
term2 /= (numParticles*(numParticles+1))/2;
expected = 8*M_PI*numParticles*numParticles*(term1-term2)/(boxSize*boxSize*boxSize);
ASSERT_EQUAL_TOL(expected, energy1-energy2, 1e-4);
}
void testSwitchingFunction(NonbondedForce::NonbondedMethod method) {
System system;
system.setDefaultPeriodicBoxVectors(Vec3(6, 0, 0), Vec3(0, 6, 0), Vec3(0, 0, 6));
system.addParticle(1.0);
system.addParticle(1.0);
VerletIntegrator integrator(0.01);
NonbondedForce* nonbonded = new NonbondedForce();
nonbonded->addParticle(0, 1.2, 1);
nonbonded->addParticle(0, 1.4, 2);
nonbonded->setNonbondedMethod(method);
nonbonded->setCutoffDistance(2.0);
nonbonded->setUseSwitchingFunction(true);
nonbonded->setSwitchingDistance(1.5);
nonbonded->setUseDispersionCorrection(false);
system.addForce(nonbonded);
if (method == NonbondedForce::PME) {
ASSERT(nonbonded->usesPeriodicBoundaryConditions());
ASSERT(system.usesPeriodicBoundaryConditions());
}
else {
ASSERT(!nonbonded->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
}
Context context(system, integrator, platform);
vector<Vec3> positions(2);
positions[0] = Vec3(0, 0, 0);
double eps = SQRT_TWO;
// Compute the interaction at various distances.
for (double r = 1.0; r < 2.5; r += 0.1) {
positions[1] = Vec3(r, 0, 0);
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
// See if the energy is correct.
double x = 1.3/r;
double expectedEnergy = 4.0*eps*(std::pow(x, 12.0)-std::pow(x, 6.0));
double switchValue;
if (r <= 1.5)
switchValue = 1;
else if (r >= 2.0)
switchValue = 0;
else {
double t = (r-1.5)/0.5;
switchValue = 1+t*t*t*(-10+t*(15-t*6));
}
ASSERT_EQUAL_TOL(switchValue*expectedEnergy, state.getPotentialEnergy(), TOL);
// See if the force is the gradient of the energy.
double delta = 1e-3;
positions[1] = Vec3(r-delta, 0, 0);
context.setPositions(positions);
double e1 = context.getState(State::Energy).getPotentialEnergy();
positions[1] = Vec3(r+delta, 0, 0);
context.setPositions(positions);
double e2 = context.getState(State::Energy).getPotentialEnergy();
ASSERT_EQUAL_TOL((e2-e1)/(2*delta), state.getForces()[0][0], 1e-3);
}
}
int main() {
try {
testCoulomb();
testLJ();
testExclusionsAnd14();
testCutoff();
testCutoff14();
testPeriodic();
testTriclinic();
testDispersionCorrection();
testSwitchingFunction(NonbondedForce::CutoffNonPeriodic);
testSwitchingFunction(NonbondedForce::PME);
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
void runPlatformTests() {
}
platforms/reference/tests/TestReferencePeriodicTorsionForce.cpp
View file @ 5e1a87fb
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -29,80 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests all the different force terms in the reference implementation of PeriodicTorsionForce.
*/
#include "ReferenceTests.h"
#include "TestPeriodicTorsionForce.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/PeriodicTorsionForce.h"
#include "openmm/System.h"
#include "openmm/VerletIntegrator.h"
#include "SimTKOpenMMRealType.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
const double TOL = 1e-5;
void testPeriodicTorsions() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
VerletIntegrator integrator(0.01);
PeriodicTorsionForce* forceField = new PeriodicTorsionForce();
forceField->addTorsion(0, 1, 2, 3, 2, PI_M/3, 1.1);
system.addForce(forceField);
ASSERT(!forceField->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
Context context(system, integrator, platform);
vector<Vec3> positions(4);
positions[0] = Vec3(0, 1, 0);
positions[1] = Vec3(0, 0, 0);
positions[2] = Vec3(1, 0, 0);
positions[3] = Vec3(1, 0, 2);
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
{
const vector<Vec3>& forces = state.getForces();
double torque = -2*1.1*std::sin(2*PI_M/3);
ASSERT_EQUAL_VEC(Vec3(0, 0, torque), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(0, 0.5*torque, 0), forces[3], TOL);
ASSERT_EQUAL_VEC(Vec3(forces[0][0]+forces[1][0]+forces[2][0]+forces[3][0], forces[0][1]+forces[1][1]+forces[2][1]+forces[3][1], forces[0][2]+forces[1][2]+forces[2][2]+forces[3][2]), Vec3(0, 0, 0), TOL);
ASSERT_EQUAL_TOL(1.1*(1+std::cos(2*PI_M/3)), state.getPotentialEnergy(), TOL);
}
// Try changing the torsion parameters and make sure it's still correct.
forceField->setTorsionParameters(0, 0, 1, 2, 3, 3, PI_M/3.2, 1.3);
forceField->updateParametersInContext(context);
state = context.getState(State::Forces | State::Energy);
{
const vector<Vec3>& forces = state.getForces();
double dtheta = (3*PI_M/2)-(PI_M/3.2);
double torque = -3*1.3*std::sin(dtheta);
ASSERT_EQUAL_VEC(Vec3(0, 0, torque), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(0, 0.5*torque, 0), forces[3], TOL);
ASSERT_EQUAL_VEC(Vec3(forces[0][0]+forces[1][0]+forces[2][0]+forces[3][0], forces[0][1]+forces[1][1]+forces[2][1]+forces[3][1], forces[0][2]+forces[1][2]+forces[2][2]+forces[3][2]), Vec3(0, 0, 0), TOL);
ASSERT_EQUAL_TOL(1.3*(1+std::cos(dtheta)), state.getPotentialEnergy(), TOL);
}
}
int main() {
try {
testPeriodicTorsions();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
void runPlatformTests() {
}
platforms/reference/tests/TestReferenceRBTorsionForce.cpp
View file @ 5e1a87fb
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -29,99 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests all the different force terms in the reference implementation of RBTorsionForce.
*/
#include "ReferenceTests.h"
#include "TestRBTorsionForce.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/RBTorsionForce.h"
#include "openmm/System.h"
#include "openmm/VerletIntegrator.h"
#include "SimTKOpenMMRealType.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
const double TOL = 1e-5;
void testRBTorsions() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
VerletIntegrator integrator(0.01);
RBTorsionForce* forceField = new RBTorsionForce();
forceField->addTorsion(0, 1, 2, 3, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6);
system.addForce(forceField);
ASSERT(!forceField->usesPeriodicBoundaryConditions());
ASSERT(!system.usesPeriodicBoundaryConditions());
Context context(system, integrator, platform);
vector<Vec3> positions(4);
positions[0] = Vec3(0, 1, 0);
positions[1] = Vec3(0, 0, 0);
positions[2] = Vec3(1, 0, 0);
positions[3] = Vec3(1, 1, 1);
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
{
const vector<Vec3>& forces = state.getForces();
double psi = 0.25*PI_M - PI_M;
double torque = 0.0;
for (int i = 1; i < 6; ++i) {
double c = 0.1*(i+1);
torque += -c*i*std::pow(std::cos(psi), i-1)*std::sin(psi);
}
ASSERT_EQUAL_VEC(Vec3(0, 0, torque), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(0, 0.5*torque, -0.5*torque), forces[3], TOL);
ASSERT_EQUAL_VEC(Vec3(forces[0][0]+forces[1][0]+forces[2][0]+forces[3][0], forces[0][1]+forces[1][1]+forces[2][1]+forces[3][1], forces[0][2]+forces[1][2]+forces[2][2]+forces[3][2]), Vec3(0, 0, 0), TOL);
double energy = 0.0;
for (int i = 0; i < 6; ++i) {
double c = 0.1*(i+1);
energy += c*std::pow(std::cos(psi), i);
}
ASSERT_EQUAL_TOL(energy, state.getPotentialEnergy(), TOL);
}
// Try changing the torsion parameters and make sure it's still correct.
forceField->setTorsionParameters(0, 0, 1, 2, 3, 0.11, 0.22, 0.33, 0.44, 0.55, 0.66);
forceField->updateParametersInContext(context);
state = context.getState(State::Forces | State::Energy);
{
const vector<Vec3>& forces = state.getForces();
double psi = 0.25*PI_M - PI_M;
double torque = 0.0;
for (int i = 1; i < 6; ++i) {
double c = 0.11*(i+1);
torque += -c*i*std::pow(std::cos(psi), i-1)*std::sin(psi);
}
ASSERT_EQUAL_VEC(Vec3(0, 0, torque), forces[0], TOL);
ASSERT_EQUAL_VEC(Vec3(0, 0.5*torque, -0.5*torque), forces[3], TOL);
ASSERT_EQUAL_VEC(Vec3(forces[0][0]+forces[1][0]+forces[2][0]+forces[3][0], forces[0][1]+forces[1][1]+forces[2][1]+forces[3][1], forces[0][2]+forces[1][2]+forces[2][2]+forces[3][2]), Vec3(0, 0, 0), TOL);
double energy = 0.0;
for (int i = 0; i < 6; ++i) {
double c = 0.11*(i+1);
energy += c*std::pow(std::cos(psi), i);
}
ASSERT_EQUAL_TOL(energy, state.getPotentialEnergy(), TOL);
}
}
int main() {
try {
testRBTorsions();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
void runPlatformTests() {
}
platforms/reference/tests/TestReferenceSettle.cpp
View file @ 5e1a87fb
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
......@@ -7,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008-2009 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -30,88 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests the reference implementation of the SETTLE algorithm.
*/
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/LangevinIntegrator.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
void testConstraints() {
const int numMolecules = 10;
const int numParticles = numMolecules*3;
const int numConstraints = numMolecules*3;
const double temp = 100.0;
System system;
LangevinIntegrator integrator(temp, 2.0, 0.001);
integrator.setConstraintTolerance(1e-5);
NonbondedForce* forceField = new NonbondedForce();
for (int i = 0; i < numMolecules; ++i) {
system.addParticle(16.0);
system.addParticle(1.0);
system.addParticle(1.0);
forceField->addParticle(-0.82, 0.317, 0.65);
forceField->addParticle(0.41, 1.0, 0.0);
forceField->addParticle(0.41, 1.0, 0.0);
system.addConstraint(i*3, i*3+1, 0.1);
system.addConstraint(i*3, i*3+2, 0.1);
system.addConstraint(i*3+1, i*3+2, 0.163);
}
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(numParticles);
vector<Vec3> velocities(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < numMolecules; ++i) {
positions[i*3] = Vec3((i%4)*0.4, (i/4)*0.4, 0);
positions[i*3+1] = positions[i*3]+Vec3(0.1, 0, 0);
positions[i*3+2] = positions[i*3]+Vec3(-0.03333, 0.09428, 0);
velocities[i*3] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
velocities[i*3+1] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
velocities[i*3+2] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
}
context.setPositions(positions);
context.setVelocities(velocities);
// Simulate it and see whether the constraints remain satisfied.
for (int i = 0; i < 1000; ++i) {
integrator.step(1);
State state = context.getState(State::Positions | State::Forces);
for (int j = 0; j < numConstraints; ++j) {
int particle1, particle2;
double distance;
system.getConstraintParameters(j, particle1, particle2, distance);
Vec3 p1 = state.getPositions()[particle1];
Vec3 p2 = state.getPositions()[particle2];
double dist = std::sqrt((p1[0]-p2[0])*(p1[0]-p2[0])+(p1[1]-p2[1])*(p1[1]-p2[1])+(p1[2]-p2[2])*(p1[2]-p2[2]));
ASSERT_EQUAL_TOL(distance, dist, 1e-5);
}
}
}
#include "ReferenceTests.h"
#include "TestSettle.h"
int main(int argc, char* argv[]) {
try {
testConstraints();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
void runPlatformTests() {
}
platforms/reference/tests/TestReferenceVariableLangevinIntegrator.cpp
View file @ 5e1a87fb
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008-2009 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -29,309 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests the reference implementation of VariableLangevinIntegrator.
*/
#include "ReferenceTests.h"
#include "TestVariableLangevinIntegrator.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/HarmonicBondForce.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/VariableLangevinIntegrator.h"
#include "SimTKOpenMMRealType.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
const double TOL = 1e-5;
void testSingleBond() {
System system;
system.addParticle(2.0);
system.addParticle(2.0);
VariableLangevinIntegrator integrator(0, 0.1, 1e-6);
HarmonicBondForce* forceField = new HarmonicBondForce();
forceField->addBond(0, 1, 1.5, 1);
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(2);
positions[0] = Vec3(-1, 0, 0);
positions[1] = Vec3(1, 0, 0);
context.setPositions(positions);
// This is simply a damped harmonic oscillator, so compare it to the analytical solution.
double freq = std::sqrt(1-0.05*0.05);
for (int i = 0; i < 1000; ++i) {
State state = context.getState(State::Positions | State::Velocities);
double time = state.getTime();
double expectedDist = 1.5+0.5*std::exp(-0.05*time)*std::cos(freq*time);
ASSERT_EQUAL_VEC(Vec3(-0.5*expectedDist, 0, 0), state.getPositions()[0], 0.02);
ASSERT_EQUAL_VEC(Vec3(0.5*expectedDist, 0, 0), state.getPositions()[1], 0.02);
double expectedSpeed = -0.5*std::exp(-0.05*time)*(0.05*std::cos(freq*time)+freq*std::sin(freq*time));
ASSERT_EQUAL_VEC(Vec3(-0.5*expectedSpeed, 0, 0), state.getVelocities()[0], 0.02);
ASSERT_EQUAL_VEC(Vec3(0.5*expectedSpeed, 0, 0), state.getVelocities()[1], 0.02);
integrator.step(1);
}
// Now set the friction to a tiny value and see if it conserves energy.
integrator.setFriction(5e-5);
context.setPositions(positions);
State state = context.getState(State::Energy);
double initialEnergy = state.getKineticEnergy()+state.getPotentialEnergy();
for (int i = 0; i < 1000; ++i) {
state = context.getState(State::Energy);
double energy = state.getKineticEnergy()+state.getPotentialEnergy();
ASSERT_EQUAL_TOL(initialEnergy, energy, 0.05);
integrator.step(1);
}
}
void testTemperature() {
const int numParticles = 8;
const double temp = 100.0;
System system;
VariableLangevinIntegrator integrator(temp, 5.0, 5e-5);
NonbondedForce* forceField = new NonbondedForce();
for (int i = 0; i < numParticles; ++i) {
system.addParticle(2.0);
forceField->addParticle((i%2 == 0 ? 1.0 : -1.0), 1.0, 5.0);
}
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(numParticles);
for (int i = 0; i < numParticles; ++i)
positions[i] = Vec3((i%2 == 0 ? 2 : -2), (i%4 < 2 ? 2 : -2), (i < 4 ? 2 : -2));
context.setPositions(positions);
context.setVelocitiesToTemperature(temp);
// Let it equilibrate.
integrator.step(5000);
// Now run it for a while and see if the temperature is correct.
double ke = 0.0;
for (int i = 0; i < 5000; ++i) {
State state = context.getState(State::Energy);
ke += state.getKineticEnergy();
integrator.step(5);
}
ke /= 5000;
double expected = 0.5*numParticles*3*BOLTZ*temp;
ASSERT_USUALLY_EQUAL_TOL(expected, ke, 0.1);
}
void testConstraints() {
const int numParticles = 8;
const double temp = 100.0;
System system;
VariableLangevinIntegrator integrator(temp, 2.0, 1e-5);
integrator.setConstraintTolerance(1e-5);
integrator.setRandomNumberSeed(0);
NonbondedForce* forceField = new NonbondedForce();
for (int i = 0; i < numParticles; ++i) {
system.addParticle(10.0);
forceField->addParticle((i%2 == 0 ? 0.2 : -0.2), 0.5, 5.0);
}
for (int i = 0; i < numParticles-1; ++i)
system.addConstraint(i, i+1, 1.0);
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(numParticles);
vector<Vec3> velocities(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < numParticles; ++i) {
positions[i] = Vec3(i/2, (i+1)/2, 0);
velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
}
context.setPositions(positions);
context.setVelocities(velocities);
// Simulate it and see whether the constraints remain satisfied.
for (int i = 0; i < 1000; ++i) {
State state = context.getState(State::Positions);
for (int j = 0; j < numParticles-1; ++j) {
Vec3 p1 = state.getPositions()[j];
Vec3 p2 = state.getPositions()[j+1];
double dist = std::sqrt((p1[0]-p2[0])*(p1[0]-p2[0])+(p1[1]-p2[1])*(p1[1]-p2[1])+(p1[2]-p2[2])*(p1[2]-p2[2]));
ASSERT_EQUAL_TOL(1.0, dist, 2e-5);
}
integrator.step(1);
}
}
void testConstrainedMasslessParticles() {
System system;
system.addParticle(0.0);
system.addParticle(1.0);
system.addConstraint(0, 1, 1.5);
vector<Vec3> positions(2);
positions[0] = Vec3(-1, 0, 0);
positions[1] = Vec3(1, 0, 0);
VariableLangevinIntegrator integrator(300.0, 2.0, 0.01);
bool failed = false;
try {
// This should throw an exception.
Context context(system, integrator, platform);
}
catch (exception& ex) {
failed = true;
}
ASSERT(failed);
// Now make both particles massless, which should work.
system.setParticleMass(1, 0.0);
Context context(system, integrator, platform);
context.setPositions(positions);
context.setVelocitiesToTemperature(300.0);
integrator.step(1);
State state = context.getState(State::Velocities | State::Positions);
ASSERT_EQUAL(0.0, state.getVelocities()[0][0]);
}
void testRandomSeed() {
const int numParticles = 8;
const double temp = 100.0;
System system;
VariableLangevinIntegrator integrator(temp, 2.0, 1e-5);
NonbondedForce* forceField = new NonbondedForce();
for (int i = 0; i < numParticles; ++i) {
system.addParticle(2.0);
forceField->addParticle((i%2 == 0 ? 1.0 : -1.0), 1.0, 5.0);
}
system.addForce(forceField);
vector<Vec3> positions(numParticles);
vector<Vec3> velocities(numParticles);
for (int i = 0; i < numParticles; ++i) {
positions[i] = Vec3((i%2 == 0 ? 2 : -2), (i%4 < 2 ? 2 : -2), (i < 4 ? 2 : -2));
velocities[i] = Vec3(0, 0, 0);
}
// Try twice with the same random seed.
integrator.setRandomNumberSeed(5);
Context context(system, integrator, platform);
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state1 = context.getState(State::Positions);
context.reinitialize();
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state2 = context.getState(State::Positions);
// Try twice with a different random seed.
integrator.setRandomNumberSeed(10);
context.reinitialize();
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state3 = context.getState(State::Positions);
context.reinitialize();
context.setPositions(positions);
context.setVelocities(velocities);
integrator.step(10);
State state4 = context.getState(State::Positions);
// Compare the results.
for (int i = 0; i < numParticles; i++) {
for (int j = 0; j < 3; j++) {
ASSERT(state1.getPositions()[i][j] == state2.getPositions()[i][j]);
ASSERT(state3.getPositions()[i][j] == state4.getPositions()[i][j]);
ASSERT(state1.getPositions()[i][j] != state3.getPositions()[i][j]);
}
}
}
void testArgonBox() {
const int gridSize = 8;
const double mass = 40.0; // Ar atomic mass
const double temp = 120.0; // K
const double epsilon = BOLTZ * temp; // L-J well depth for Ar
const double sigma = 0.34; // L-J size for Ar in nm
const double density = 0.8; // atoms / sigma^3
double cellSize = sigma / pow(density, 0.333);
double boxSize = gridSize * cellSize;
double cutoff = 2.0 * sigma;
// Create a box of argon atoms.
System system;
NonbondedForce* nonbonded = new NonbondedForce();
vector<Vec3> positions;
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
const Vec3 half(0.5, 0.5, 0.5);
int numParticles = 0;
for (int i = 0; i < gridSize; i++) {
for (int j = 0; j < gridSize; j++) {
for (int k = 0; k < gridSize; k++) {
system.addParticle(mass);
nonbonded->addParticle(0, sigma, epsilon);
positions.push_back((Vec3(i, j, k) + half + Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt))*0.1) * cellSize);
++numParticles;
}
}
}
nonbonded->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
nonbonded->setCutoffDistance(cutoff);
system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
system.addForce(nonbonded);
VariableLangevinIntegrator integrator(temp, 6.0, 1e-4);
Context context(system, integrator, platform);
context.setPositions(positions);
context.setVelocitiesToTemperature(temp);
// Equilibrate.
integrator.stepTo(2.0);
// Make sure the temperature is correct.
double ke = 0.0;
for (int i = 0; i < 1000; ++i) {
double t = 2.0 + 0.02 * (i + 1);
integrator.stepTo(t);
State state = context.getState(State::Energy);
ke += state.getKineticEnergy();
}
ke /= 1000;
double expected = 1.5 * numParticles * BOLTZ * temp;
ASSERT_USUALLY_EQUAL_TOL(expected, ke, 0.01);
}
int main() {
try {
testSingleBond();
testTemperature();
testConstraints();
testConstrainedMasslessParticles();
testRandomSeed();
testArgonBox();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
void runPlatformTests() {
}
platforms/reference/tests/TestReferenceVariableVerletIntegrator.cpp
View file @ 5e1a87fb
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008-2009 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -29,286 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests the reference implementation of VariableVerletIntegrator.
*/
#include "ReferenceTests.h"
#include "TestVariableVerletIntegrator.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/HarmonicBondForce.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/VariableVerletIntegrator.h"
#include "SimTKOpenMMRealType.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
const double TOL = 1e-5;
void testSingleBond() {
System system;
system.addParticle(2.0);
system.addParticle(2.0);
VariableVerletIntegrator integrator(1e-6);
HarmonicBondForce* forceField = new HarmonicBondForce();
forceField->addBond(0, 1, 1.5, 1);
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(2);
positions[0] = Vec3(-1, 0, 0);
positions[1] = Vec3(1, 0, 0);
context.setPositions(positions);
// This is simply a harmonic oscillator, so compare it to the analytical solution.
const double freq = 1.0;
State state = context.getState(State::Energy);
const double initialEnergy = state.getKineticEnergy()+state.getPotentialEnergy();
for (int i = 0; i < 1000; ++i) {
state = context.getState(State::Positions | State::Velocities | State::Energy);
double time = state.getTime();
double expectedDist = 1.5+0.5*std::cos(freq*time);
ASSERT_EQUAL_VEC(Vec3(-0.5*expectedDist, 0, 0), state.getPositions()[0], 0.02);
ASSERT_EQUAL_VEC(Vec3(0.5*expectedDist, 0, 0), state.getPositions()[1], 0.02);
double expectedSpeed = -0.5*freq*std::sin(freq*time);
ASSERT_EQUAL_VEC(Vec3(-0.5*expectedSpeed, 0, 0), state.getVelocities()[0], 0.02);
ASSERT_EQUAL_VEC(Vec3(0.5*expectedSpeed, 0, 0), state.getVelocities()[1], 0.02);
double energy = state.getKineticEnergy()+state.getPotentialEnergy();
ASSERT_EQUAL_TOL(initialEnergy, energy, 0.05);
integrator.step(1);
}
ASSERT(state.getTime() > 1.0);
}
void testConstraints() {
const int numParticles = 8;
const double temp = 500.0;
System system;
VariableVerletIntegrator integrator(1e-5);
integrator.setConstraintTolerance(1e-5);
NonbondedForce* forceField = new NonbondedForce();
for (int i = 0; i < numParticles; ++i) {
system.addParticle(i%2 == 0 ? 5.0 : 10.0);
forceField->addParticle((i%2 == 0 ? 0.2 : -0.2), 0.5, 5.0);
}
for (int i = 0; i < numParticles-1; ++i)
system.addConstraint(i, i+1, 1.0);
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(numParticles);
vector<Vec3> velocities(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < numParticles; ++i) {
positions[i] = Vec3(i/2, (i+1)/2, 0);
velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
}
context.setPositions(positions);
context.setVelocities(velocities);
// Simulate it and see whether the constraints remain satisfied.
double initialEnergy = 0.0;
for (int i = 0; i < 1000; ++i) {
State state = context.getState(State::Positions | State::Energy | State::Velocities | State::Forces);
for (int j = 0; j < system.getNumConstraints(); ++j) {
int particle1, particle2;
double distance;
system.getConstraintParameters(j, particle1, particle2, distance);
Vec3 p1 = state.getPositions()[particle1];
Vec3 p2 = state.getPositions()[particle2];
double dist = std::sqrt((p1[0]-p2[0])*(p1[0]-p2[0])+(p1[1]-p2[1])*(p1[1]-p2[1])+(p1[2]-p2[2])*(p1[2]-p2[2]));
ASSERT_EQUAL_TOL(distance, dist, 2e-5);
}
double energy = state.getKineticEnergy()+state.getPotentialEnergy();
if (i == 1)
initialEnergy = energy;
else if (i > 1)
ASSERT_EQUAL_TOL(initialEnergy, energy, 0.01);
integrator.step(1);
}
double finalTime = context.getState(State::Positions).getTime();
ASSERT(finalTime > 0.1);
// Now try the stepTo() method.
finalTime += 0.5;
integrator.stepTo(finalTime);
ASSERT_EQUAL(finalTime, context.getState(State::Positions).getTime());
}
void testConstrainedClusters() {
const int numParticles = 7;
const double temp = 500.0;
System system;
VariableVerletIntegrator integrator(1e-5);
integrator.setConstraintTolerance(1e-5);
NonbondedForce* forceField = new NonbondedForce();
for (int i = 0; i < numParticles; ++i) {
system.addParticle(i > 1 ? 1.0 : 10.0);
forceField->addParticle((i%2 == 0 ? 0.2 : -0.2), 0.5, 5.0);
}
system.addConstraint(0, 1, 1.0);
system.addConstraint(0, 2, 1.0);
system.addConstraint(0, 3, 1.0);
system.addConstraint(0, 4, 1.0);
system.addConstraint(1, 5, 1.0);
system.addConstraint(1, 6, 1.0);
system.addConstraint(2, 3, sqrt(2.0));
system.addConstraint(2, 4, sqrt(2.0));
system.addConstraint(3, 4, sqrt(2.0));
system.addConstraint(5, 6, sqrt(2.0));
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(numParticles);
positions[0] = Vec3(0, 0, 0);
positions[1] = Vec3(1, 0, 0);
positions[2] = Vec3(-1, 0, 0);
positions[3] = Vec3(0, 1, 0);
positions[4] = Vec3(0, 0, 1);
positions[5] = Vec3(2, 0, 0);
positions[6] = Vec3(1, 1, 0);
vector<Vec3> velocities(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < numParticles; ++i)
velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
context.setPositions(positions);
context.setVelocities(velocities);
// Simulate it and see whether the constraints remain satisfied.
double initialEnergy = 0.0;
for (int i = 0; i < 1000; ++i) {
State state = context.getState(State::Positions | State::Energy | State::Velocities | State::Forces);
for (int j = 0; j < system.getNumConstraints(); ++j) {
int particle1, particle2;
double distance;
system.getConstraintParameters(j, particle1, particle2, distance);
Vec3 p1 = state.getPositions()[particle1];
Vec3 p2 = state.getPositions()[particle2];
double dist = std::sqrt((p1[0]-p2[0])*(p1[0]-p2[0])+(p1[1]-p2[1])*(p1[1]-p2[1])+(p1[2]-p2[2])*(p1[2]-p2[2]));
ASSERT_EQUAL_TOL(distance, dist, 2e-5);
}
double energy = state.getKineticEnergy()+state.getPotentialEnergy();
if (i == 1)
initialEnergy = energy;
else if (i > 1)
ASSERT_EQUAL_TOL(initialEnergy, energy, 0.01);
integrator.step(1);
}
ASSERT(context.getState(State::Positions).getTime() > 0.1);
}
void testConstrainedMasslessParticles() {
System system;
system.addParticle(0.0);
system.addParticle(1.0);
system.addConstraint(0, 1, 1.5);
vector<Vec3> positions(2);
positions[0] = Vec3(-1, 0, 0);
positions[1] = Vec3(1, 0, 0);
VariableVerletIntegrator integrator(0.01);
bool failed = false;
try {
// This should throw an exception.
Context context(system, integrator, platform);
}
catch (exception& ex) {
failed = true;
}
ASSERT(failed);
// Now make both particles massless, which should work.
system.setParticleMass(1, 0.0);
Context context(system, integrator, platform);
context.setPositions(positions);
context.setVelocitiesToTemperature(300.0);
integrator.step(1);
State state = context.getState(State::Velocities | State::Positions);
ASSERT_EQUAL(0.0, state.getVelocities()[0][0]);
void runPlatformTests() {
}
void testArgonBox() {
const int gridSize = 8;
const double mass = 40.0; // Ar atomic mass
const double temp = 120.0; // K
const double epsilon = BOLTZ * temp; // L-J well depth for Ar
const double sigma = 0.34; // L-J size for Ar in nm
const double density = 0.8; // atoms / sigma^3
double cellSize = sigma / pow(density, 0.333);
double boxSize = gridSize * cellSize;
double cutoff = 2.0 * sigma;
// Create a box of argon atoms.
System system;
NonbondedForce* nonbonded = new NonbondedForce();
vector<Vec3> positions;
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
const Vec3 half(0.5, 0.5, 0.5);
for (int i = 0; i < gridSize; i++) {
for (int j = 0; j < gridSize; j++) {
for (int k = 0; k < gridSize; k++) {
system.addParticle(mass);
nonbonded->addParticle(0, sigma, epsilon);
positions.push_back((Vec3(i, j, k) + half + Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt))*0.1) * cellSize);
}
}
}
nonbonded->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
nonbonded->setCutoffDistance(cutoff);
system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
system.addForce(nonbonded);
VariableVerletIntegrator integrator(1e-5);
Context context(system, integrator, platform);
context.setPositions(positions);
context.setVelocitiesToTemperature(temp);
// Equilibrate.
integrator.stepTo(1.0);
// Simulate it and see whether energy remains constant.
State state0 = context.getState(State::Energy);
double initialEnergy = state0.getKineticEnergy() + state0.getPotentialEnergy();
for (int i = 0; i < 20; i++) {
double t = 1.0 + 0.05*(i+1);
integrator.stepTo(t);
State state = context.getState(State::Energy);
double energy = state.getKineticEnergy() + state.getPotentialEnergy();
ASSERT_EQUAL_TOL(initialEnergy, energy, 0.01);
}
}
int main() {
try {
testSingleBond();
testConstraints();
testConstrainedClusters();
testConstrainedMasslessParticles();
testArgonBox();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
}
platforms/reference/tests/TestReferenceVerletIntegrator.cpp
View file @ 5e1a87fb
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -29,218 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests the reference implementation of VerletIntegrator.
*/
#include "ReferenceTests.h"
#include "TestVerletIntegrator.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/HarmonicBondForce.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/VerletIntegrator.h"
#include "SimTKOpenMMRealType.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
const double TOL = 1e-5;
void testSingleBond() {
System system;
system.addParticle(2.0);
system.addParticle(2.0);
VerletIntegrator integrator(0.01);
HarmonicBondForce* forceField = new HarmonicBondForce();
forceField->addBond(0, 1, 1.5, 1);
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(2);
positions[0] = Vec3(-1, 0, 0);
positions[1] = Vec3(1, 0, 0);
context.setPositions(positions);
// This is simply a harmonic oscillator, so compare it to the analytical solution.
const double freq = 1.0;;
State state = context.getState(State::Energy);
const double initialEnergy = state.getKineticEnergy()+state.getPotentialEnergy();
for (int i = 0; i < 1000; ++i) {
state = context.getState(State::Positions | State::Velocities | State::Energy);
double time = state.getTime();
double expectedDist = 1.5+0.5*std::cos(freq*time);
ASSERT_EQUAL_VEC(Vec3(-0.5*expectedDist, 0, 0), state.getPositions()[0], 0.02);
ASSERT_EQUAL_VEC(Vec3(0.5*expectedDist, 0, 0), state.getPositions()[1], 0.02);
double expectedSpeed = -0.5*freq*std::sin(freq*time);
ASSERT_EQUAL_VEC(Vec3(-0.5*expectedSpeed, 0, 0), state.getVelocities()[0], 0.02);
ASSERT_EQUAL_VEC(Vec3(0.5*expectedSpeed, 0, 0), state.getVelocities()[1], 0.02);
double energy = state.getKineticEnergy()+state.getPotentialEnergy();
ASSERT_EQUAL_TOL(initialEnergy, energy, 0.01);
integrator.step(1);
}
}
void testConstraints() {
const int numParticles = 8;
const double temp = 500.0;
System system;
VerletIntegrator integrator(0.002);
integrator.setConstraintTolerance(1e-5);
NonbondedForce* forceField = new NonbondedForce();
for (int i = 0; i < numParticles; ++i) {
system.addParticle(i%2 == 0 ? 5.0 : 10.0);
forceField->addParticle((i%2 == 0 ? 0.2 : -0.2), 0.5, 5.0);
}
for (int i = 0; i < numParticles-1; ++i)
system.addConstraint(i, i+1, 1.0);
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(numParticles);
vector<Vec3> velocities(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < numParticles; ++i) {
positions[i] = Vec3(i/2, (i+1)/2, 0);
velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
}
context.setPositions(positions);
context.setVelocities(velocities);
// Simulate it and see whether the constraints remain satisfied.
double initialEnergy = 0.0;
for (int i = 0; i < 1000; ++i) {
State state = context.getState(State::Positions | State::Energy | State::Velocities | State::Forces);
for (int j = 0; j < system.getNumConstraints(); ++j) {
int particle1, particle2;
double distance;
system.getConstraintParameters(j, particle1, particle2, distance);
Vec3 p1 = state.getPositions()[particle1];
Vec3 p2 = state.getPositions()[particle2];
double dist = std::sqrt((p1[0]-p2[0])*(p1[0]-p2[0])+(p1[1]-p2[1])*(p1[1]-p2[1])+(p1[2]-p2[2])*(p1[2]-p2[2]));
ASSERT_EQUAL_TOL(distance, dist, 2e-5);
}
double energy = state.getPotentialEnergy()+state.getKineticEnergy();
if (i == 1)
initialEnergy = energy;
else if (i > 1)
ASSERT_EQUAL_TOL(initialEnergy, energy, 0.01);
integrator.step(1);
}
}
void testConstrainedClusters() {
const int numParticles = 7;
const double temp = 500.0;
System system;
VerletIntegrator integrator(0.001);
integrator.setConstraintTolerance(1e-5);
NonbondedForce* forceField = new NonbondedForce();
for (int i = 0; i < numParticles; ++i) {
system.addParticle(i > 1 ? 1.0 : 10.0);
forceField->addParticle((i%2 == 0 ? 0.2 : -0.2), 0.5, 5.0);
}
system.addConstraint(0, 1, 1.0);
system.addConstraint(0, 2, 1.0);
system.addConstraint(0, 3, 1.0);
system.addConstraint(0, 4, 1.0);
system.addConstraint(1, 5, 1.0);
system.addConstraint(1, 6, 1.0);
system.addConstraint(2, 3, sqrt(2.0));
system.addConstraint(2, 4, sqrt(2.0));
system.addConstraint(3, 4, sqrt(2.0));
system.addConstraint(5, 6, sqrt(2.0));
system.addForce(forceField);
Context context(system, integrator, platform);
vector<Vec3> positions(numParticles);
positions[0] = Vec3(0, 0, 0);
positions[1] = Vec3(1, 0, 0);
positions[2] = Vec3(-1, 0, 0);
positions[3] = Vec3(0, 1, 0);
positions[4] = Vec3(0, 0, 1);
positions[5] = Vec3(2, 0, 0);
positions[6] = Vec3(1, 1, 0);
vector<Vec3> velocities(numParticles);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < numParticles; ++i)
velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
context.setPositions(positions);
context.setVelocities(velocities);
// Simulate it and see whether the constraints remain satisfied.
double initialEnergy = 0.0;
for (int i = 0; i < 1000; ++i) {
State state = context.getState(State::Positions | State::Energy | State::Velocities | State::Forces);
for (int j = 0; j < system.getNumConstraints(); ++j) {
int particle1, particle2;
double distance;
system.getConstraintParameters(j, particle1, particle2, distance);
Vec3 p1 = state.getPositions()[particle1];
Vec3 p2 = state.getPositions()[particle2];
double dist = std::sqrt((p1[0]-p2[0])*(p1[0]-p2[0])+(p1[1]-p2[1])*(p1[1]-p2[1])+(p1[2]-p2[2])*(p1[2]-p2[2]));
ASSERT_EQUAL_TOL(distance, dist, 2e-5);
}
double energy = state.getPotentialEnergy()+state.getKineticEnergy();
if (i == 1)
initialEnergy = energy;
else if (i > 1)
ASSERT_EQUAL_TOL(initialEnergy, energy, 0.01);
integrator.step(1);
}
}
void testConstrainedMasslessParticles() {
System system;
system.addParticle(0.0);
system.addParticle(1.0);
system.addConstraint(0, 1, 1.5);
vector<Vec3> positions(2);
positions[0] = Vec3(-1, 0, 0);
positions[1] = Vec3(1, 0, 0);
VerletIntegrator integrator(0.01);
bool failed = false;
try {
// This should throw an exception.
Context context(system, integrator, platform);
}
catch (exception& ex) {
failed = true;
}
ASSERT(failed);
// Now make both particles massless, which should work.
system.setParticleMass(1, 0.0);
Context context(system, integrator, platform);
context.setPositions(positions);
context.setVelocitiesToTemperature(300.0);
integrator.step(1);
State state = context.getState(State::Velocities | State::Positions);
ASSERT_EQUAL(0.0, state.getVelocities()[0][0]);
}
int main() {
try {
testSingleBond();
testConstraints();
testConstrainedClusters();
testConstrainedMasslessParticles();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
void runPlatformTests() {
}
platforms/reference/tests/TestReferenceVirtualSites.cpp
View file @ 5e1a87fb
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2012-2014 Stanford University and the Authors. *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -29,408 +29,8 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests the reference implementation of virtual sites.
*/
#include "ReferenceTests.h"
#include "TestVirtualSites.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "ReferencePlatform.h"
#include "openmm/CustomBondForce.h"
#include "openmm/CustomExternalForce.h"
#include "openmm/LangevinIntegrator.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/VirtualSite.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
ReferencePlatform platform;
/**
* Check that massless particles are handled correctly.
*/
void testMasslessParticle() {
System system;
system.addParticle(0.0);
system.addParticle(1.0);
CustomBondForce* bonds = new CustomBondForce("-1/r");
system.addForce(bonds);
vector<double> params;
bonds->addBond(0, 1, params);
VerletIntegrator integrator(0.002);
Context context(system, integrator, platform);
vector<Vec3> positions(2);
positions[0] = Vec3(0, 0, 0);
positions[1] = Vec3(1, 0, 0);
context.setPositions(positions);
vector<Vec3> velocities(2);
velocities[0] = Vec3(0, 0, 0);
velocities[1] = Vec3(0, 1, 0);
context.setVelocities(velocities);
// The second particle should move in a circular orbit around the first one.
// Compare it to the analytical solution.
for (int i = 0; i < 1000; ++i) {
State state = context.getState(State::Positions | State::Velocities | State::Forces);
double time = state.getTime();
ASSERT_EQUAL_VEC(Vec3(0, 0, 0), state.getPositions()[0], 0.0);
ASSERT_EQUAL_VEC(Vec3(0, 0, 0), state.getVelocities()[0], 0.0);
ASSERT_EQUAL_VEC(Vec3(cos(time), sin(time), 0), state.getPositions()[1], 0.01);
ASSERT_EQUAL_VEC(Vec3(-sin(time), cos(time), 0), state.getVelocities()[1], 0.01);
integrator.step(1);
}
}
/**
* Test a TwoParticleAverageSite virtual site.
*/
void testTwoParticleAverage() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(0.0);
system.setVirtualSite(2, new TwoParticleAverageSite(0, 1, 0.8, 0.2));
CustomExternalForce* forceField = new CustomExternalForce("-a*x");
system.addForce(forceField);
forceField->addPerParticleParameter("a");
vector<double> params(1);
params[0] = 0.1;
forceField->addParticle(0, params);
params[0] = 0.2;
forceField->addParticle(1, params);
params[0] = 0.3;
forceField->addParticle(2, params);
LangevinIntegrator integrator(300.0, 0.1, 0.002);
Context context(system, integrator, platform);
vector<Vec3> positions(3);
positions[0] = Vec3(0, 0, 0);
positions[1] = Vec3(1, 0, 0);
context.setPositions(positions);
context.applyConstraints(0.0001);
for (int i = 0; i < 1000; i++) {
State state = context.getState(State::Positions | State::Forces);
const vector<Vec3>& pos = state.getPositions();
ASSERT_EQUAL_VEC(pos[0]*0.8+pos[1]*0.2, pos[2], 1e-10);
ASSERT_EQUAL_VEC(Vec3(0.1+0.3*0.8, 0, 0), state.getForces()[0], 1e-10);
ASSERT_EQUAL_VEC(Vec3(0.2+0.3*0.2, 0, 0), state.getForces()[1], 1e-10);
integrator.step(1);
}
}
/**
* Test a ThreeParticleAverageSite virtual site.
*/
void testThreeParticleAverage() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(0.0);
system.setVirtualSite(3, new ThreeParticleAverageSite(0, 1, 2, 0.2, 0.3, 0.5));
CustomExternalForce* forceField = new CustomExternalForce("-a*x");
system.addForce(forceField);
forceField->addPerParticleParameter("a");
vector<double> params(1);
params[0] = 0.1;
forceField->addParticle(0, params);
params[0] = 0.2;
forceField->addParticle(1, params);
params[0] = 0.3;
forceField->addParticle(2, params);
params[0] = 0.4;
forceField->addParticle(3, params);
LangevinIntegrator integrator(300.0, 0.1, 0.002);
Context context(system, integrator, platform);
vector<Vec3> positions(4);
positions[0] = Vec3(0, 0, 0);
positions[1] = Vec3(1, 0, 0);
positions[2] = Vec3(0, 1, 0);
context.setPositions(positions);
context.applyConstraints(0.0001);
for (int i = 0; i < 1000; i++) {
State state = context.getState(State::Positions | State::Forces);
const vector<Vec3>& pos = state.getPositions();
ASSERT_EQUAL_VEC(pos[0]*0.2+pos[1]*0.3+pos[2]*0.5, pos[3], 1e-10);
ASSERT_EQUAL_VEC(Vec3(0.1+0.4*0.2, 0, 0), state.getForces()[0], 1e-10);
ASSERT_EQUAL_VEC(Vec3(0.2+0.4*0.3, 0, 0), state.getForces()[1], 1e-10);
ASSERT_EQUAL_VEC(Vec3(0.3+0.4*0.5, 0, 0), state.getForces()[2], 1e-10);
integrator.step(1);
}
}
/**
* Test an OutOfPlaneSite virtual site.
*/
void testOutOfPlane() {
System system;
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(0.0);
system.setVirtualSite(3, new OutOfPlaneSite(0, 1, 2, 0.3, 0.4, 0.5));
CustomExternalForce* forceField = new CustomExternalForce("-a*x");
system.addForce(forceField);
forceField->addPerParticleParameter("a");
vector<double> params(1);
params[0] = 0.1;
forceField->addParticle(0, params);
params[0] = 0.2;
forceField->addParticle(1, params);
params[0] = 0.3;
forceField->addParticle(2, params);
params[0] = 0.4;
forceField->addParticle(3, params);
LangevinIntegrator integrator(300.0, 0.1, 0.002);
Context context(system, integrator, platform);
vector<Vec3> positions(4);
positions[0] = Vec3(0, 0, 0);
positions[1] = Vec3(1, 0, 0);
positions[2] = Vec3(0, 1, 0);
context.setPositions(positions);
context.applyConstraints(0.0001);
for (int i = 0; i < 1000; i++) {
State state = context.getState(State::Positions | State::Forces);
const vector<Vec3>& pos = state.getPositions();
Vec3 v12 = pos[1]-pos[0];
Vec3 v13 = pos[2]-pos[0];
Vec3 cross = v12.cross(v13);
ASSERT_EQUAL_VEC(pos[0]+v12*0.3+v13*0.4+cross*0.5, pos[3], 1e-10);
const vector<Vec3>& f = state.getForces();
ASSERT_EQUAL_VEC(Vec3(0.1+0.2+0.3+0.4, 0, 0), f[0]+f[1]+f[2], 1e-10);
Vec3 f2(0.4*0.3, 0.4*0.5*v13[2], -0.4*0.5*v13[1]);
Vec3 f3(0.4*0.4, -0.4*0.5*v12[2], 0.4*0.5*v12[1]);
ASSERT_EQUAL_VEC(Vec3(0.1+0.4, 0, 0)-f2-f3, f[0], 1e-10);
ASSERT_EQUAL_VEC(Vec3(0.2, 0, 0)+f2, f[1], 1e-10);
ASSERT_EQUAL_VEC(Vec3(0.3, 0, 0)+f3, f[2], 1e-10);
integrator.step(1);
}
}
/**
* Test a LocalCoordinatesSite virtual site.
*/
void testLocalCoordinates() {
const Vec3 originWeights(0.2, 0.3, 0.5);
const Vec3 xWeights(-1.0, 0.5, 0.5);
const Vec3 yWeights(0.0, -1.0, 1.0);
const Vec3 localPosition(0.4, 0.3, 0.2);
System system;
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(0.0);
system.setVirtualSite(3, new LocalCoordinatesSite(0, 1, 2, originWeights, xWeights, yWeights, localPosition));
CustomExternalForce* forceField = new CustomExternalForce("2*x^2+3*y^2+4*z^2");
system.addForce(forceField);
vector<double> params;
forceField->addParticle(0, params);
forceField->addParticle(1, params);
forceField->addParticle(2, params);
forceField->addParticle(3, params);
LangevinIntegrator integrator(300.0, 0.1, 0.002);
Context context(system, integrator, platform);
vector<Vec3> positions(4), positions2(4), positions3(4);
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
for (int i = 0; i < 100; i++) {
// Set the particles at random positions.
Vec3 xdir, ydir, zdir;
do {
for (int j = 0; j < 3; j++)
positions[j] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
xdir = positions[0]*xWeights[0] + positions[1]*xWeights[1] + positions[2]*xWeights[2];
ydir = positions[0]*yWeights[0] + positions[1]*yWeights[1] + positions[2]*yWeights[2];
zdir = xdir.cross(ydir);
if (sqrt(xdir.dot(xdir)) > 0.1 && sqrt(ydir.dot(ydir)) > 0.1 && sqrt(zdir.dot(zdir)) > 0.1)
break; // These positions give a reasonable coordinate system.
} while (true);
context.setPositions(positions);
context.applyConstraints(0.0001);
// See if the virtual site is positioned correctly.
State state = context.getState(State::Positions | State::Forces);
const vector<Vec3>& pos = state.getPositions();
Vec3 origin = pos[0]*originWeights[0] + pos[1]*originWeights[1] + pos[2]*originWeights[2];
xdir /= sqrt(xdir.dot(xdir));
zdir /= sqrt(zdir.dot(zdir));
ydir = zdir.cross(xdir);
ASSERT_EQUAL_VEC(origin+xdir*localPosition[0]+ydir*localPosition[1]+zdir*localPosition[2], pos[3], 1e-10);
// Take a small step in the direction of the energy gradient and see whether the potential energy changes by the expected amount.
double norm = 0.0;
for (int i = 0; i < 3; ++i) {
Vec3 f = state.getForces()[i];
norm += f[0]*f[0] + f[1]*f[1] + f[2]*f[2];
}
norm = std::sqrt(norm);
const double delta = 1e-2;
double step = 0.5*delta/norm;
for (int i = 0; i < 3; ++i) {
Vec3 p = positions[i];
Vec3 f = state.getForces()[i];
positions2[i] = Vec3(p[0]-f[0]*step, p[1]-f[1]*step, p[2]-f[2]*step);
positions3[i] = Vec3(p[0]+f[0]*step, p[1]+f[1]*step, p[2]+f[2]*step);
}
context.setPositions(positions2);
context.applyConstraints(0.0001);
State state2 = context.getState(State::Energy);
context.setPositions(positions3);
context.applyConstraints(0.0001);
State state3 = context.getState(State::Energy);
ASSERT_EQUAL_TOL(norm, (state2.getPotentialEnergy()-state3.getPotentialEnergy())/delta, 1e-3)
}
}
/**
* Make sure that energy, linear momentum, and angular momentum are all conserved
* when using virtual sites.
*/
void testConservationLaws() {
System system;
NonbondedForce* forceField = new NonbondedForce();
system.addForce(forceField);
vector<Vec3> positions;
// Create a linear molecule with a TwoParticleAverage virtual site.
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(0.0);
system.setVirtualSite(2, new TwoParticleAverageSite(0, 1, 0.4, 0.6));
system.addConstraint(0, 1, 2.0);
for (int i = 0; i < 3; i++) {
forceField->addParticle(0, 1, 10);
for (int j = 0; j < i; j++)
forceField->addException(i, j, 0, 1, 0);
}
positions.push_back(Vec3(0, 0, 0));
positions.push_back(Vec3(2, 0, 0));
positions.push_back(Vec3());
// Create a planar molecule with a ThreeParticleAverage virtual site.
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(0.0);
system.setVirtualSite(6, new ThreeParticleAverageSite(3, 4, 5, 0.3, 0.5, 0.2));
system.addConstraint(3, 4, 1.0);
system.addConstraint(3, 5, 1.0);
system.addConstraint(4, 5, sqrt(2.0));
for (int i = 0; i < 4; i++) {
forceField->addParticle(0, 1, 10);
for (int j = 0; j < i; j++)
forceField->addException(i+3, j+3, 0, 1, 0);
}
positions.push_back(Vec3(0, 0, 1));
positions.push_back(Vec3(1, 0, 1));
positions.push_back(Vec3(0, 1, 1));
positions.push_back(Vec3());
// Create a tetrahedral molecule with an OutOfPlane virtual site.
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(0.0);
system.setVirtualSite(10, new OutOfPlaneSite(7, 8, 9, 0.3, 0.5, 0.2));
system.addConstraint(7, 8, 1.0);
system.addConstraint(7, 9, 1.0);
system.addConstraint(8, 9, sqrt(2.0));
for (int i = 0; i < 4; i++) {
forceField->addParticle(0, 1, 10);
for (int j = 0; j < i; j++)
forceField->addException(i+7, j+7, 0, 1, 0);
}
positions.push_back(Vec3(1, 0, -1));
positions.push_back(Vec3(2, 0, -1));
positions.push_back(Vec3(1, 1, -1));
positions.push_back(Vec3());
// Create a molecule with a LocalCoordinatesSite virtual site.
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(1.0);
system.addParticle(0.0);
system.setVirtualSite(14, new LocalCoordinatesSite(11, 12, 13, Vec3(0.3, 0.3, 0.4), Vec3(1.0, -0.5, -0.5), Vec3(0, -1.0, 1.0), Vec3(0.2, 0.2, 1.0)));
system.addConstraint(11, 12, 1.0);
system.addConstraint(11, 13, 1.0);
system.addConstraint(12, 13, sqrt(2.0));
for (int i = 0; i < 4; i++) {
forceField->addParticle(0, 1, 10);
for (int j = 0; j < i; j++)
forceField->addException(i+11, j+11, 0, 1, 0);
}
positions.push_back(Vec3(1, 2, 0));
positions.push_back(Vec3(2, 2, 0));
positions.push_back(Vec3(1, 3, 0));
positions.push_back(Vec3());
// Simulate it and check conservation laws.
VerletIntegrator integrator(0.002);
Context context(system, integrator, platform);
context.setPositions(positions);
context.applyConstraints(0.0001);
int numParticles = system.getNumParticles();
double initialEnergy;
Vec3 initialMomentum, initialAngularMomentum;
for (int i = 0; i < 1000; i++) {
State state = context.getState(State::Positions | State::Velocities | State::Forces | State::Energy);
const vector<Vec3>& pos = state.getPositions();
const vector<Vec3>& vel = state.getVelocities();
const vector<Vec3>& f = state.getForces();
double energy = state.getPotentialEnergy();
for (int j = 0; j < numParticles; j++) {
Vec3 v = vel[j] + f[j]*0.5*integrator.getStepSize();
energy += 0.5*system.getParticleMass(j)*v.dot(v);
}
if (i == 0)
initialEnergy = energy;
else
ASSERT_EQUAL_TOL(initialEnergy, energy, 0.01);
Vec3 momentum;
for (int j = 0; j < numParticles; j++)
momentum += vel[j]*system.getParticleMass(j);
if (i == 0)
initialMomentum = momentum;
else
ASSERT_EQUAL_VEC(initialMomentum, momentum, 1e-10);
Vec3 angularMomentum;
for (int j = 0; j < numParticles; j++)
angularMomentum += pos[j].cross(vel[j])*system.getParticleMass(j);
if (i == 0)
initialAngularMomentum = angularMomentum;
else
ASSERT_EQUAL_VEC(initialAngularMomentum, angularMomentum, 1e-10);
integrator.step(1);
}
}
int main() {
try {
testMasslessParticle();
testTwoParticleAverage();
testThreeParticleAverage();
testOutOfPlane();
testLocalCoordinates();
testConservationLaws();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
void runPlatformTests() {
}
platforms/reference/tests/nacl_amorph.dat deleted 100644 → 0
View file @ b11af401
positions[0] = Vec3(1.066000,1.628000,0.835000);
positions[1] = Vec3(1.072000,0.428000,0.190000);
positions[2] = Vec3(0.524000,1.442000,1.160000);
positions[3] = Vec3(2.383000,1.524000,1.119000);
positions[4] = Vec3(0.390000,1.441000,0.575000);
positions[5] = Vec3(0.618000,0.399000,0.819000);
positions[6] = Vec3(1.003000,1.257000,1.543000);
positions[7] = Vec3(2.933000,1.569000,0.642000);
positions[8] = Vec3(0.849000,0.739000,0.089000);
positions[9] = Vec3(0.060000,0.794000,0.766000);
positions[10] = Vec3(1.652000,1.405000,1.010000);
positions[11] = Vec3(2.843000,1.533000,1.781000);
positions[12] = Vec3(0.952000,1.309000,0.996000);
positions[13] = Vec3(1.847000,1.402000,0.313000);
positions[14] = Vec3(2.674000,0.083000,1.691000);
positions[15] = Vec3(1.763000,2.104000,0.728000);
positions[16] = Vec3(0.914000,0.574000,0.982000);
positions[17] = Vec3(0.514000,0.078000,0.891000);
positions[18] = Vec3(0.538000,0.766000,1.110000);
positions[19] = Vec3(0.808000,0.676000,0.570000);
positions[20] = Vec3(0.178000,0.014000,0.628000);
positions[21] = Vec3(1.329000,1.333000,0.339000);
positions[22] = Vec3(1.029000,1.678000,0.503000);
positions[23] = Vec3(1.423000,1.767000,1.104000);
positions[24] = Vec3(1.966000,1.051000,0.282000);
positions[25] = Vec3(1.596000,1.971000,0.194000);
positions[26] = Vec3(1.025000,1.043000,2.809000);
positions[27] = Vec3(1.628000,2.614000,0.088000);
positions[28] = Vec3(0.440000,0.606000,0.141000);
positions[29] = Vec3(1.050000,2.821000,2.517000);
positions[30] = Vec3(0.644000,1.604000,0.770000);
positions[31] = Vec3(0.637000,0.917000,0.392000);
positions[32] = Vec3(0.611000,2.768000,0.013000);
positions[33] = Vec3(1.892000,0.660000,0.473000);
positions[34] = Vec3(1.052000,2.081000,0.982000);
positions[35] = Vec3(1.508000,2.300000,0.439000);
positions[36] = Vec3(2.617000,0.328000,1.099000);
positions[37] = Vec3(0.910000,0.040000,0.259000);
positions[38] = Vec3(1.195000,1.494000,1.202000);
positions[39] = Vec3(2.657000,0.997000,0.564000);
positions[40] = Vec3(1.465000,1.580000,0.648000);
positions[41] = Vec3(0.154000,2.538000,1.331000);
positions[42] = Vec3(0.849000,1.476000,1.365000);
positions[43] = Vec3(0.898000,0.987000,1.178000);
positions[44] = Vec3(0.958000,0.656000,1.358000);
positions[45] = Vec3(1.067000,0.934000,0.211000);
positions[46] = Vec3(1.030000,0.319000,1.281000);
positions[47] = Vec3(2.709000,0.807000,0.240000);
positions[48] = Vec3(0.837000,1.362000,0.588000);
positions[49] = Vec3(2.080000,0.791000,2.947000);
positions[50] = Vec3(0.200000,0.266000,1.474000);
positions[51] = Vec3(0.848000,0.379000,1.625000);
positions[52] = Vec3(0.637000,1.071000,0.821000);
positions[53] = Vec3(1.324000,0.757000,2.951000);
positions[54] = Vec3(2.666000,0.935000,1.373000);
positions[55] = Vec3(1.584000,1.025000,1.703000);
positions[56] = Vec3(1.699000,0.636000,0.038000);
positions[57] = Vec3(1.099000,1.644000,1.879000);
positions[58] = Vec3(2.897000,1.302000,1.522000);
positions[59] = Vec3(1.753000,0.949000,2.885000);
positions[60] = Vec3(2.502000,1.321000,0.752000);
positions[61] = Vec3(0.545000,0.193000,1.959000);
positions[62] = Vec3(1.098000,2.646000,1.706000);
positions[63] = Vec3(0.001000,1.205000,0.670000);
positions[64] = Vec3(2.997000,0.061000,1.040000);
positions[65] = Vec3(0.662000,0.828000,1.535000);
positions[66] = Vec3(1.252000,1.246000,0.780000);
positions[67] = Vec3(1.173000,0.472000,0.810000);
positions[68] = Vec3(0.124000,0.622000,2.992000);
positions[69] = Vec3(1.036000,0.883000,0.848000);
positions[70] = Vec3(1.423000,2.146000,1.340000);
positions[71] = Vec3(2.391000,1.136000,1.165000);
positions[72] = Vec3(1.189000,2.961000,0.425000);
positions[73] = Vec3(1.584000,2.500000,0.782000);
positions[74] = Vec3(0.565000,1.122000,1.240000);
positions[75] = Vec3(1.733000,1.716000,1.763000);
positions[76] = Vec3(1.548000,1.522000,0.041000);
positions[77] = Vec3(1.485000,0.561000,0.369000);
positions[78] = Vec3(0.350000,1.661000,0.928000);
positions[79] = Vec3(1.653000,1.223000,0.578000);
positions[80] = Vec3(0.648000,1.349000,0.253000);
positions[81] = Vec3(0.340000,1.820000,0.483000);
positions[82] = Vec3(2.926000,0.119000,1.421000);
positions[83] = Vec3(1.512000,1.084000,0.156000);
positions[84] = Vec3(1.600000,2.115000,1.792000);
positions[85] = Vec3(1.089000,0.934000,1.584000);
positions[86] = Vec3(1.276000,1.104000,1.230000);
positions[87] = Vec3(0.485000,0.305000,0.428000);
positions[88] = Vec3(1.317000,1.261000,1.795000);
positions[89] = Vec3(0.039000,1.413000,1.085000);
positions[90] = Vec3(0.453000,0.701000,0.605000);
positions[91] = Vec3(1.283000,1.937000,0.752000);
positions[92] = Vec3(0.212000,1.416000,1.447000);
positions[93] = Vec3(0.203000,0.358000,0.723000);
positions[94] = Vec3(0.556000,0.445000,1.364000);
positions[95] = Vec3(1.436000,0.861000,0.911000);
positions[96] = Vec3(0.358000,0.966000,0.176000);
positions[97] = Vec3(1.478000,2.715000,0.427000);
positions[98] = Vec3(1.581000,0.575000,0.809000);
positions[99] = Vec3(1.007000,2.153000,2.887000);
positions[100] = Vec3(2.343000,0.663000,2.513000);
positions[101] = Vec3(2.105000,0.649000,1.635000);
positions[102] = Vec3(0.875000,0.743000,2.459000);
positions[103] = Vec3(0.229000,1.315000,1.879000);
positions[104] = Vec3(0.285000,0.935000,1.700000);
positions[105] = Vec3(2.269000,1.284000,2.234000);
positions[106] = Vec3(1.406000,1.149000,2.767000);
positions[107] = Vec3(1.076000,0.220000,1.849000);
positions[108] = Vec3(2.001000,1.532000,2.881000);
positions[109] = Vec3(2.893000,0.485000,1.860000);
positions[110] = Vec3(1.621000,1.786000,2.624000);
positions[111] = Vec3(0.500000,0.616000,1.818000);
positions[112] = Vec3(0.938000,2.978000,2.104000);
positions[113] = Vec3(0.550000,2.081000,0.454000);
positions[114] = Vec3(1.121000,0.685000,2.196000);
positions[115] = Vec3(1.088000,1.385000,2.184000);
positions[116] = Vec3(1.122000,2.705000,2.080000);
positions[117] = Vec3(0.918000,1.767000,2.861000);
positions[118] = Vec3(2.748000,0.232000,2.126000);
positions[119] = Vec3(1.238000,2.766000,0.109000);
positions[120] = Vec3(1.380000,0.785000,1.961000);
positions[121] = Vec3(1.236000,1.757000,0.150000);
positions[122] = Vec3(1.339000,2.187000,2.592000);
positions[123] = Vec3(1.414000,0.342000,2.714000);
positions[124] = Vec3(1.310000,0.770000,2.589000);
positions[125] = Vec3(1.686000,0.765000,2.321000);
positions[126] = Vec3(1.659000,1.367000,2.780000);
positions[127] = Vec3(0.141000,0.095000,1.903000);
positions[128] = Vec3(2.084000,1.002000,2.520000);
positions[129] = Vec3(2.819000,1.286000,2.626000);
positions[130] = Vec3(1.257000,1.044000,2.401000);
positions[131] = Vec3(1.064000,0.546000,2.839000);
positions[132] = Vec3(0.078000,1.246000,0.010000);
positions[133] = Vec3(1.506000,0.420000,2.223000);
positions[134] = Vec3(1.778000,0.699000,1.920000);
positions[135] = Vec3(1.315000,1.721000,2.733000);
positions[136] = Vec3(0.114000,0.281000,0.279000);
positions[137] = Vec3(1.082000,1.421000,2.596000);
positions[138] = Vec3(3.001000,0.592000,2.276000);
positions[139] = Vec3(1.384000,2.227000,2.992000);
positions[140] = Vec3(1.353000,0.044000,1.985000);
positions[141] = Vec3(1.367000,1.832000,2.383000);
positions[142] = Vec3(0.853000,1.119000,2.230000);
positions[143] = Vec3(1.675000,1.482000,2.295000);
positions[144] = Vec3(1.334000,1.890000,1.904000);
positions[145] = Vec3(1.630000,0.140000,2.939000);
positions[146] = Vec3(0.195000,1.290000,2.300000);
positions[147] = Vec3(2.178000,1.173000,3.001000);
positions[148] = Vec3(0.637000,0.655000,2.126000);
positions[149] = Vec3(0.993000,1.796000,2.529000);
positions[150] = Vec3(0.910000,0.701000,1.845000);
positions[151] = Vec3(0.191000,2.128000,0.355000);
positions[152] = Vec3(0.692000,1.163000,2.578000);
positions[153] = Vec3(1.154000,1.052000,1.974000);
positions[154] = Vec3(1.682000,0.335000,2.509000);
positions[155] = Vec3(0.569000,1.032000,1.895000);
positions[156] = Vec3(1.800000,2.796000,1.295000);
positions[157] = Vec3(2.517000,2.347000,2.878000);
positions[158] = Vec3(0.639000,2.470000,1.678000);
positions[159] = Vec3(0.634000,2.006000,1.829000);
positions[160] = Vec3(0.892000,0.215000,0.566000);
positions[161] = Vec3(1.800000,2.143000,1.491000);
positions[162] = Vec3(1.898000,0.226000,2.765000);
positions[163] = Vec3(0.791000,1.738000,0.260000);
positions[164] = Vec3(0.437000,1.740000,2.048000);
positions[165] = Vec3(1.687000,2.438000,1.166000);
positions[166] = Vec3(1.337000,2.304000,1.643000);
positions[167] = Vec3(1.270000,2.397000,1.033000);
positions[168] = Vec3(0.702000,2.429000,0.591000);
positions[169] = Vec3(0.842000,1.976000,0.724000);
positions[170] = Vec3(1.965000,0.095000,1.206000);
positions[171] = Vec3(0.355000,2.710000,0.618000);
positions[172] = Vec3(0.745000,1.434000,2.781000);
positions[173] = Vec3(0.707000,2.171000,1.502000);
positions[174] = Vec3(1.294000,2.696000,0.847000);
positions[175] = Vec3(1.143000,2.075000,0.276000);
positions[176] = Vec3(1.111000,2.474000,0.312000);
positions[177] = Vec3(1.144000,2.316000,0.633000);
positions[178] = Vec3(1.335000,0.292000,0.515000);
positions[179] = Vec3(1.926000,2.813000,2.703000);
positions[180] = Vec3(0.559000,2.314000,2.904000);
positions[181] = Vec3(1.308000,1.605000,1.534000);
positions[182] = Vec3(0.773000,2.913000,1.217000);
positions[183] = Vec3(1.612000,0.082000,1.027000);
positions[184] = Vec3(1.510000,0.287000,1.787000);
positions[185] = Vec3(0.716000,1.424000,1.843000);
positions[186] = Vec3(1.267000,0.685000,1.160000);
positions[187] = Vec3(0.306000,1.653000,1.717000);
positions[188] = Vec3(0.349000,0.020000,1.275000);
positions[189] = Vec3(0.166000,1.979000,0.804000);
positions[190] = Vec3(1.523000,2.992000,0.711000);
positions[191] = Vec3(1.998000,2.146000,0.088000);
positions[192] = Vec3(0.047000,2.513000,0.642000);
positions[193] = Vec3(0.501000,1.793000,1.438000);
positions[194] = Vec3(1.099000,2.010000,1.626000);
positions[195] = Vec3(2.580000,2.854000,1.328000);
positions[196] = Vec3(1.080000,2.779000,1.190000);
positions[197] = Vec3(0.901000,2.561000,0.948000);
positions[198] = Vec3(0.920000,2.990000,0.844000);
positions[199] = Vec3(0.819000,2.924000,1.711000);
positions[200] = Vec3(0.434000,1.516000,0.063000);
positions[201] = Vec3(1.470000,0.058000,0.231000);
positions[202] = Vec3(0.530000,3.005000,1.550000);
positions[203] = Vec3(0.447000,2.330000,1.277000);
positions[204] = Vec3(1.632000,2.683000,1.593000);
positions[205] = Vec3(0.885000,1.835000,2.072000);
positions[206] = Vec3(0.868000,2.601000,1.425000);
positions[207] = Vec3(0.720000,2.242000,0.907000);
positions[208] = Vec3(1.194000,0.144000,1.065000);
positions[209] = Vec3(0.448000,2.485000,0.959000);
positions[210] = Vec3(1.377000,2.694000,1.352000);
positions[211] = Vec3(1.305000,2.928000,2.713000);
positions[212] = Vec3(1.784000,2.456000,1.981000);
positions[213] = Vec3(0.354000,2.136000,1.563000);
positions[214] = Vec3(0.489000,2.000000,1.108000);
positions[215] = Vec3(1.884000,2.221000,0.461000);
positions[216] = Vec3(1.860000,2.540000,0.306000);
positions[217] = Vec3(1.753000,2.335000,2.768000);
positions[218] = Vec3(1.536000,2.441000,2.344000);
positions[219] = Vec3(0.531000,0.025000,2.235000);
positions[220] = Vec3(0.809000,0.011000,2.834000);
positions[221] = Vec3(0.289000,2.614000,2.879000);
positions[222] = Vec3(0.613000,1.891000,2.337000);
positions[223] = Vec3(0.507000,0.037000,2.694000);
positions[224] = Vec3(0.882000,2.185000,2.583000);
positions[225] = Vec3(0.503000,2.051000,2.615000);
positions[226] = Vec3(1.907000,1.956000,2.831000);
positions[227] = Vec3(2.833000,2.769000,1.644000);
positions[228] = Vec3(1.141000,0.113000,2.945000);
positions[229] = Vec3(0.600000,1.338000,2.200000);
positions[230] = Vec3(0.904000,2.360000,1.952000);
positions[231] = Vec3(0.738000,1.568000,2.437000);
positions[232] = Vec3(1.136000,2.535000,2.805000);
positions[233] = Vec3(1.430000,2.767000,2.321000);
positions[234] = Vec3(1.078000,2.470000,2.385000);
positions[235] = Vec3(0.296000,2.376000,2.560000);
positions[236] = Vec3(0.719000,0.300000,0.075000);
positions[237] = Vec3(0.518000,1.911000,0.080000);
positions[238] = Vec3(0.381000,1.570000,2.450000);
positions[239] = Vec3(0.716000,2.581000,2.697000);
positions[240] = Vec3(1.473000,2.617000,1.936000);
positions[241] = Vec3(0.421000,2.449000,0.229000);
positions[242] = Vec3(0.425000,2.817000,1.910000);
positions[243] = Vec3(1.312000,2.294000,2.057000);
positions[244] = Vec3(1.239000,0.007000,1.539000);
positions[245] = Vec3(0.822000,0.379000,2.086000);
positions[246] = Vec3(0.560000,2.562000,2.227000);
positions[247] = Vec3(0.863000,2.417000,0.050000);
positions[248] = Vec3(1.263000,0.151000,2.332000);
positions[249] = Vec3(0.237000,0.208000,2.336000);
positions[250] = Vec3(0.437000,2.370000,1.910000);
positions[251] = Vec3(1.119000,2.058000,2.207000);
positions[252] = Vec3(1.960000,1.749000,0.118000);
positions[253] = Vec3(2.415000,0.870000,2.757000);
positions[254] = Vec3(1.781000,0.342000,0.366000);
positions[255] = Vec3(2.172000,1.279000,1.421000);
positions[256] = Vec3(1.986000,0.715000,1.301000);
positions[257] = Vec3(1.657000,1.804000,0.810000);
positions[258] = Vec3(2.405000,1.202000,0.416000);
positions[259] = Vec3(1.932000,1.457000,0.786000);
positions[260] = Vec3(1.901000,1.271000,1.207000);
positions[261] = Vec3(1.864000,0.301000,0.810000);
positions[262] = Vec3(1.658000,0.673000,1.558000);
positions[263] = Vec3(2.637000,2.247000,0.396000);
positions[264] = Vec3(1.353000,0.369000,1.438000);
positions[265] = Vec3(0.530000,2.688000,1.346000);
positions[266] = Vec3(0.237000,0.485000,1.047000);
positions[267] = Vec3(2.806000,0.601000,0.822000);
positions[268] = Vec3(1.617000,2.018000,2.136000);
positions[269] = Vec3(2.000000,2.898000,0.022000);
positions[270] = Vec3(2.049000,1.883000,1.001000);
positions[271] = Vec3(2.477000,0.355000,1.786000);
positions[272] = Vec3(1.646000,0.983000,1.266000);
positions[273] = Vec3(1.683000,2.097000,1.114000);
positions[274] = Vec3(2.161000,0.921000,1.065000);
positions[275] = Vec3(2.099000,0.463000,1.942000);
positions[276] = Vec3(2.561000,1.638000,0.572000);
positions[277] = Vec3(2.205000,0.395000,1.005000);
positions[278] = Vec3(2.836000,0.203000,0.698000);
positions[279] = Vec3(2.662000,0.909000,0.966000);
positions[280] = Vec3(0.334000,0.350000,2.767000);
positions[281] = Vec3(2.241000,2.934000,1.248000);
positions[282] = Vec3(2.599000,2.953000,0.921000);
positions[283] = Vec3(2.219000,0.262000,0.058000);
positions[284] = Vec3(0.274000,0.656000,1.456000);
positions[285] = Vec3(1.814000,1.008000,0.882000);
positions[286] = Vec3(2.793000,1.395000,0.316000);
positions[287] = Vec3(0.773000,1.753000,1.639000);
positions[288] = Vec3(2.321000,0.994000,1.591000);
positions[289] = Vec3(2.243000,2.255000,1.690000);
positions[290] = Vec3(0.178000,1.342000,0.327000);
positions[291] = Vec3(1.623000,1.756000,1.426000);
positions[292] = Vec3(2.252000,0.109000,0.375000);
positions[293] = Vec3(3.003000,1.895000,1.895000);
positions[294] = Vec3(0.407000,0.831000,2.756000);
positions[295] = Vec3(2.193000,0.956000,0.632000);
positions[296] = Vec3(2.405000,0.641000,1.107000);
positions[297] = Vec3(2.361000,0.958000,0.162000);
positions[298] = Vec3(2.173000,1.544000,0.528000);
positions[299] = Vec3(1.565000,1.380000,1.428000);
positions[300] = Vec3(2.342000,0.538000,0.253000);
positions[301] = Vec3(1.910000,0.701000,0.954000);
positions[302] = Vec3(2.910000,0.288000,2.938000);
positions[303] = Vec3(0.257000,1.189000,0.958000);
positions[304] = Vec3(0.134000,1.775000,1.243000);
positions[305] = Vec3(2.476000,1.583000,1.956000);
positions[306] = Vec3(1.838000,1.791000,2.354000);
positions[307] = Vec3(1.906000,1.338000,1.696000);
positions[308] = Vec3(2.413000,2.869000,0.166000);
positions[309] = Vec3(3.006000,1.038000,1.322000);
positions[310] = Vec3(1.961000,0.962000,1.605000);
positions[311] = Vec3(0.082000,2.857000,0.020000);
positions[312] = Vec3(2.408000,1.499000,0.062000);
positions[313] = Vec3(2.349000,0.267000,1.415000);
positions[314] = Vec3(2.327000,1.717000,2.350000);
positions[315] = Vec3(2.928000,0.810000,1.582000);
positions[316] = Vec3(2.150000,0.336000,0.576000);
positions[317] = Vec3(2.664000,1.085000,2.962000);
positions[318] = Vec3(2.851000,0.670000,1.174000);
positions[319] = Vec3(1.954000,1.013000,1.975000);
positions[320] = Vec3(2.474000,1.542000,1.545000);
positions[321] = Vec3(2.826000,0.455000,1.490000);
positions[322] = Vec3(2.140000,2.826000,0.558000);
positions[323] = Vec3(2.151000,1.684000,1.780000);
positions[324] = Vec3(0.174000,0.673000,0.397000);
positions[325] = Vec3(0.066000,1.708000,0.160000);
positions[326] = Vec3(2.158000,0.303000,2.582000);
positions[327] = Vec3(2.602000,1.611000,2.632000);
positions[328] = Vec3(2.566000,1.138000,2.465000);
positions[329] = Vec3(2.026000,1.443000,2.477000);
positions[330] = Vec3(2.365000,0.309000,2.255000);
positions[331] = Vec3(1.636000,1.107000,2.058000);
positions[332] = Vec3(2.522000,2.584000,2.399000);
positions[333] = Vec3(2.537000,2.900000,2.158000);
positions[334] = Vec3(2.660000,0.537000,2.577000);
positions[335] = Vec3(2.679000,1.158000,1.724000);
positions[336] = Vec3(0.220000,1.894000,2.498000);
positions[337] = Vec3(2.266000,1.248000,1.837000);
positions[338] = Vec3(0.055000,1.656000,2.128000);
positions[339] = Vec3(2.899000,1.902000,2.823000);
positions[340] = Vec3(0.085000,2.994000,2.720000);
positions[341] = Vec3(0.013000,0.889000,2.468000);
positions[342] = Vec3(1.804000,0.372000,1.636000);
positions[343] = Vec3(0.201000,1.616000,2.824000);
positions[344] = Vec3(0.369000,1.273000,2.699000);
positions[345] = Vec3(2.996000,0.355000,2.596000);
positions[346] = Vec3(2.867000,1.314000,2.107000);
positions[347] = Vec3(2.611000,0.563000,2.140000);
positions[348] = Vec3(2.676000,2.954000,2.955000);
positions[349] = Vec3(0.256000,0.848000,2.062000);
positions[350] = Vec3(2.530000,0.028000,2.528000);
positions[351] = Vec3(0.537000,1.273000,1.596000);
positions[352] = Vec3(0.004000,1.004000,0.401000);
positions[353] = Vec3(1.676000,1.060000,2.463000);
positions[354] = Vec3(2.622000,1.473000,2.257000);
positions[355] = Vec3(2.917000,2.991000,2.316000);
positions[356] = Vec3(0.672000,1.123000,2.984000);
positions[357] = Vec3(2.229000,1.806000,2.673000);
positions[358] = Vec3(0.463000,0.951000,2.383000);
positions[359] = Vec3(2.126000,0.049000,2.037000);
positions[360] = Vec3(2.868000,0.876000,2.015000);
positions[361] = Vec3(2.720000,2.582000,0.079000);
positions[362] = Vec3(1.966000,0.693000,2.624000);
positions[363] = Vec3(1.971000,0.398000,2.318000);
positions[364] = Vec3(0.337000,0.630000,2.458000);
positions[365] = Vec3(2.562000,1.044000,2.040000);
positions[366] = Vec3(2.817000,1.485000,2.963000);
positions[367] = Vec3(2.514000,0.621000,2.992000);
positions[368] = Vec3(3.000000,1.551000,2.496000);
positions[369] = Vec3(0.698000,2.167000,2.180000);
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positions[373] = Vec3(2.392000,2.622000,1.636000);
positions[374] = Vec3(2.086000,2.325000,1.340000);
positions[375] = Vec3(2.578000,2.971000,0.502000);
positions[376] = Vec3(1.871000,2.789000,2.225000);
positions[377] = Vec3(2.230000,2.985000,1.594000);
positions[378] = Vec3(2.860000,2.788000,0.729000);
positions[379] = Vec3(2.051000,1.928000,1.472000);
positions[380] = Vec3(2.307000,2.219000,1.067000);
positions[381] = Vec3(2.369000,2.572000,1.289000);
positions[382] = Vec3(2.206000,1.924000,0.693000);
positions[383] = Vec3(1.984000,2.058000,2.005000);
positions[384] = Vec3(2.287000,1.854000,0.317000);
positions[385] = Vec3(2.525000,0.345000,0.686000);
positions[386] = Vec3(2.933000,1.920000,1.053000);
positions[387] = Vec3(0.324000,2.324000,0.601000);
positions[388] = Vec3(2.042000,1.576000,1.277000);
positions[389] = Vec3(0.031000,2.376000,0.949000);
positions[390] = Vec3(2.519000,2.250000,1.465000);
positions[391] = Vec3(0.221000,2.722000,1.652000);
positions[392] = Vec3(2.409000,2.361000,2.051000);
positions[393] = Vec3(2.472000,1.917000,1.673000);
positions[394] = Vec3(0.999000,2.715000,0.562000);
positions[395] = Vec3(1.669000,0.017000,1.508000);
positions[396] = Vec3(1.924000,1.777000,0.542000);
positions[397] = Vec3(2.635000,2.634000,1.905000);
positions[398] = Vec3(2.042000,2.628000,1.025000);
positions[399] = Vec3(2.694000,1.974000,2.009000);
positions[400] = Vec3(2.988000,2.221000,1.333000);
positions[401] = Vec3(1.772000,0.196000,1.978000);
positions[402] = Vec3(2.893000,2.961000,0.283000);
positions[403] = Vec3(2.615000,0.261000,0.245000);
positions[404] = Vec3(2.797000,2.521000,1.412000);
positions[405] = Vec3(0.013000,2.497000,0.246000);
positions[406] = Vec3(1.875000,2.861000,1.801000);
positions[407] = Vec3(2.800000,2.617000,1.049000);
positions[408] = Vec3(2.824000,1.858000,1.487000);
positions[409] = Vec3(2.434000,1.868000,1.275000);
positions[410] = Vec3(2.814000,0.526000,0.384000);
positions[411] = Vec3(2.844000,2.545000,2.246000);
positions[412] = Vec3(1.896000,2.587000,0.719000);
positions[413] = Vec3(0.350000,0.055000,0.076000);
positions[414] = Vec3(2.686000,1.784000,0.222000);
positions[415] = Vec3(2.724000,1.604000,0.989000);
positions[416] = Vec3(0.807000,1.761000,1.122000);
positions[417] = Vec3(2.120000,2.382000,2.226000);
positions[418] = Vec3(2.058000,1.587000,2.067000);
positions[419] = Vec3(2.904000,2.571000,2.686000);
positions[420] = Vec3(2.228000,2.910000,2.410000);
positions[421] = Vec3(2.797000,2.142000,0.114000);
positions[422] = Vec3(2.905000,1.875000,0.480000);
positions[423] = Vec3(1.881000,2.565000,2.469000);
positions[424] = Vec3(2.404000,1.929000,2.999000);
positions[425] = Vec3(2.389000,2.814000,2.782000);
positions[426] = Vec3(2.520000,0.301000,2.815000);
positions[427] = Vec3(2.726000,1.907000,2.339000);
positions[428] = Vec3(2.880000,2.273000,2.500000);
positions[429] = Vec3(2.574000,2.045000,2.716000);
positions[430] = Vec3(2.988000,2.288000,2.001000);
positions[431] = Vec3(0.011000,2.341000,2.904000);
positions[432] = Vec3(0.215000,2.265000,2.257000);
positions[433] = Vec3(2.268000,2.311000,0.234000);
positions[434] = Vec3(2.462000,2.621000,0.550000);
positions[435] = Vec3(1.530000,2.540000,2.728000);
positions[436] = Vec3(2.162000,2.306000,2.687000);
positions[437] = Vec3(2.748000,2.301000,1.734000);
positions[438] = Vec3(2.334000,1.976000,2.041000);
positions[439] = Vec3(1.981000,2.076000,2.443000);
positions[440] = Vec3(2.301000,1.367000,2.665000);
positions[441] = Vec3(2.399000,2.164000,2.403000);
positions[442] = Vec3(0.244000,2.713000,2.257000);
positions[443] = Vec3(0.683000,0.488000,2.781000);
positions[444] = Vec3(2.194000,2.711000,1.993000);
positions[445] = Vec3(2.947000,2.848000,2.001000);
positions[446] = Vec3(0.223000,1.981000,2.913000);
positions[447] = Vec3(0.010000,1.226000,0.917000);
positions[448] = Vec3(1.911000,0.426000,0.582000);
positions[449] = Vec3(2.204000,0.015000,0.136000);
positions[450] = Vec3(0.927000,0.138000,1.645000);
positions[451] = Vec3(0.155000,0.885000,1.479000);
positions[452] = Vec3(1.550000,1.933000,1.261000);
positions[453] = Vec3(1.304000,0.407000,0.287000);
positions[454] = Vec3(0.270000,1.384000,2.910000);
positions[455] = Vec3(0.516000,1.817000,1.695000);
positions[456] = Vec3(1.458000,2.879000,1.523000);
positions[457] = Vec3(1.702000,1.670000,0.593000);
positions[458] = Vec3(1.974000,1.380000,0.534000);
positions[459] = Vec3(2.835000,1.185000,0.479000);
positions[460] = Vec3(0.548000,2.979000,1.126000);
positions[461] = Vec3(1.202000,2.174000,1.466000);
positions[462] = Vec3(1.237000,1.701000,0.653000);
positions[463] = Vec3(2.939000,0.761000,0.349000);
positions[464] = Vec3(1.667000,2.119000,0.377000);
positions[465] = Vec3(1.196000,0.552000,1.372000);
positions[466] = Vec3(1.416000,0.901000,1.178000);
positions[467] = Vec3(0.519000,1.577000,2.227000);
positions[468] = Vec3(1.214000,1.281000,1.063000);
positions[469] = Vec3(0.822000,0.433000,1.375000);
positions[470] = Vec3(0.095000,2.760000,0.604000);
positions[471] = Vec3(1.325000,2.144000,1.848000);
positions[472] = Vec3(0.681000,0.896000,1.285000);
positions[473] = Vec3(0.406000,2.936000,0.717000);
positions[474] = Vec3(0.565000,1.852000,0.349000);
positions[475] = Vec3(0.597000,1.651000,1.020000);
positions[476] = Vec3(1.236000,0.170000,1.335000);
positions[477] = Vec3(0.586000,0.441000,1.980000);
positions[478] = Vec3(1.443000,1.208000,1.575000);
positions[479] = Vec3(0.247000,0.243000,0.502000);
positions[480] = Vec3(1.386000,1.564000,0.236000);
positions[481] = Vec3(0.871000,1.063000,0.930000);
positions[482] = Vec3(0.136000,0.992000,0.621000);
positions[483] = Vec3(0.889000,0.986000,0.010000);
positions[484] = Vec3(1.107000,2.731000,1.452000);
positions[485] = Vec3(0.942000,2.471000,0.517000);
positions[486] = Vec3(0.989000,0.652000,0.747000);
positions[487] = Vec3(0.899000,1.235000,2.707000);
positions[488] = Vec3(1.105000,0.684000,0.068000);
positions[489] = Vec3(1.660000,1.235000,2.276000);
positions[490] = Vec3(1.593000,1.883000,1.915000);
positions[491] = Vec3(1.528000,1.613000,0.920000);
positions[492] = Vec3(0.459000,1.046000,1.011000);
positions[493] = Vec3(0.213000,0.612000,0.644000);
positions[494] = Vec3(0.078000,1.392000,1.676000);
positions[495] = Vec3(0.605000,0.491000,0.574000);
positions[496] = Vec3(0.990000,1.586000,1.076000);
positions[497] = Vec3(0.297000,1.434000,1.028000);
positions[498] = Vec3(1.101000,1.471000,1.443000);
positions[499] = Vec3(0.072000,0.139000,1.653000);
positions[500] = Vec3(0.633000,0.884000,0.645000);
positions[501] = Vec3(0.352000,2.841000,1.463000);
positions[502] = Vec3(0.418000,0.774000,0.350000);
positions[503] = Vec3(2.641000,0.198000,0.869000);
positions[504] = Vec3(0.608000,1.341000,0.695000);
positions[505] = Vec3(1.778000,1.151000,1.830000);
positions[506] = Vec3(1.669000,0.342000,2.768000);
positions[507] = Vec3(1.256000,0.994000,0.798000);
positions[508] = Vec3(1.068000,0.375000,1.036000);
positions[509] = Vec3(0.910000,0.758000,1.589000);
positions[510] = Vec3(0.243000,2.452000,0.805000);
positions[511] = Vec3(1.018000,0.764000,1.122000);
positions[512] = Vec3(2.464000,1.089000,1.404000);
positions[513] = Vec3(0.670000,0.564000,0.034000);
positions[514] = Vec3(0.030000,1.296000,1.310000);
positions[515] = Vec3(1.210000,1.785000,1.691000);
positions[516] = Vec3(0.022000,0.620000,0.974000);
positions[517] = Vec3(1.499000,1.277000,2.986000);
positions[518] = Vec3(1.227000,1.896000,1.006000);
positions[519] = Vec3(0.528000,1.022000,1.635000);
positions[520] = Vec3(1.887000,2.670000,0.089000);
positions[521] = Vec3(1.661000,0.825000,0.793000);
positions[522] = Vec3(0.831000,1.494000,0.374000);
positions[523] = Vec3(1.356000,0.613000,0.930000);
positions[524] = Vec3(0.667000,0.600000,0.968000);
positions[525] = Vec3(1.154000,1.702000,2.925000);
positions[526] = Vec3(1.420000,1.581000,1.289000);
positions[527] = Vec3(1.383000,0.041000,0.932000);
positions[528] = Vec3(1.727000,0.140000,1.725000);
positions[529] = Vec3(0.711000,1.215000,2.004000);
positions[530] = Vec3(1.061000,1.067000,1.366000);
positions[531] = Vec3(0.377000,0.597000,1.224000);
positions[532] = Vec3(0.274000,0.719000,1.842000);
positions[533] = Vec3(0.840000,1.658000,1.874000);
positions[534] = Vec3(0.877000,0.290000,0.311000);
positions[535] = Vec3(2.130000,1.153000,1.196000);
positions[536] = Vec3(1.028000,1.379000,0.747000);
positions[537] = Vec3(1.107000,2.450000,2.079000);
positions[538] = Vec3(1.419000,1.333000,0.585000);
positions[539] = Vec3(0.430000,1.305000,1.369000);
positions[540] = Vec3(0.775000,1.363000,1.596000);
positions[541] = Vec3(1.522000,2.009000,0.736000);
positions[542] = Vec3(0.857000,1.722000,0.696000);
positions[543] = Vec3(0.722000,2.831000,1.478000);
positions[544] = Vec3(0.411000,1.673000,0.681000);
positions[545] = Vec3(1.511000,0.456000,0.597000);
positions[546] = Vec3(2.684000,0.820000,2.996000);
positions[547] = Vec3(1.593000,1.713000,2.369000);
positions[548] = Vec3(1.113000,0.803000,1.958000);
positions[549] = Vec3(1.267000,1.095000,0.254000);
positions[550] = Vec3(2.120000,0.540000,2.477000);
positions[551] = Vec3(0.566000,1.409000,2.588000);
positions[552] = Vec3(0.261000,0.872000,2.546000);
positions[553] = Vec3(1.878000,1.446000,2.680000);
positions[554] = Vec3(0.878000,1.606000,2.658000);
positions[555] = Vec3(1.564000,0.749000,1.786000);
positions[556] = Vec3(1.412000,1.942000,2.625000);
positions[557] = Vec3(1.660000,1.114000,2.710000);
positions[558] = Vec3(1.118000,0.813000,2.424000);
positions[559] = Vec3(1.482000,0.893000,2.434000);
positions[560] = Vec3(1.093000,1.129000,1.740000);
positions[561] = Vec3(2.163000,0.849000,2.709000);
positions[562] = Vec3(1.201000,1.429000,1.957000);
positions[563] = Vec3(0.235000,2.258000,2.002000);
positions[564] = Vec3(0.413000,1.444000,0.314000);
positions[565] = Vec3(0.164000,0.450000,2.408000);
positions[566] = Vec3(1.551000,0.851000,0.033000);
positions[567] = Vec3(0.659000,0.228000,2.807000);
positions[568] = Vec3(0.741000,0.131000,2.124000);
positions[569] = Vec3(0.455000,0.567000,2.682000);
positions[570] = Vec3(0.729000,0.971000,2.408000);
positions[571] = Vec3(1.487000,2.820000,0.162000);
positions[572] = Vec3(1.855000,0.700000,2.858000);
positions[573] = Vec3(0.305000,1.074000,1.926000);
positions[574] = Vec3(1.300000,0.153000,1.747000);
positions[575] = Vec3(1.272000,1.249000,2.568000);
positions[576] = Vec3(0.431000,0.743000,2.238000);
positions[577] = Vec3(0.493000,0.240000,0.184000);
positions[578] = Vec3(1.734000,0.506000,2.317000);
positions[579] = Vec3(0.874000,0.631000,2.692000);
positions[580] = Vec3(0.473000,2.790000,2.161000);
positions[581] = Vec3(1.310000,0.571000,2.759000);
positions[582] = Vec3(0.677000,0.798000,1.916000);
positions[583] = Vec3(0.944000,0.442000,1.858000);
positions[584] = Vec3(3.006000,2.098000,2.976000);
positions[585] = Vec3(0.864000,0.592000,2.231000);
positions[586] = Vec3(1.366000,0.611000,2.147000);
positions[587] = Vec3(2.871000,1.217000,2.880000);
positions[588] = Vec3(1.674000,2.664000,2.336000);
positions[589] = Vec3(1.757000,0.879000,2.101000);
positions[590] = Vec3(1.293000,2.939000,2.457000);
positions[591] = Vec3(1.108000,1.131000,2.206000);
positions[592] = Vec3(1.207000,1.658000,2.498000);
positions[593] = Vec3(0.850000,1.373000,2.312000);
positions[594] = Vec3(1.413000,1.060000,1.939000);
positions[595] = Vec3(1.138000,0.140000,2.102000);
positions[596] = Vec3(0.752000,1.307000,1.190000);
positions[597] = Vec3(1.254000,0.942000,2.790000);
positions[598] = Vec3(1.544000,1.614000,2.800000);
positions[599] = Vec3(2.128000,0.302000,2.833000);
positions[600] = Vec3(0.300000,1.744000,0.027000);
positions[601] = Vec3(1.878000,2.986000,2.060000);
positions[602] = Vec3(1.528000,0.233000,2.045000);
positions[603] = Vec3(1.146000,1.817000,2.067000);
positions[604] = Vec3(1.037000,2.746000,0.813000);
positions[605] = Vec3(0.524000,0.610000,1.566000);
positions[606] = Vec3(0.945000,2.964000,0.503000);
positions[607] = Vec3(1.788000,2.565000,0.965000);
positions[608] = Vec3(0.471000,2.510000,0.491000);
positions[609] = Vec3(0.512000,2.043000,1.371000);
positions[610] = Vec3(2.316000,2.423000,1.494000);
positions[611] = Vec3(1.575000,2.394000,2.953000);
positions[612] = Vec3(2.845000,2.869000,0.985000);
positions[613] = Vec3(1.016000,2.335000,1.003000);
positions[614] = Vec3(0.998000,2.830000,1.879000);
positions[615] = Vec3(0.624000,2.508000,0.075000);
positions[616] = Vec3(1.362000,2.808000,2.069000);
positions[617] = Vec3(1.747000,0.068000,0.810000);
positions[618] = Vec3(1.768000,2.355000,0.661000);
positions[619] = Vec3(1.535000,2.410000,2.085000);
positions[620] = Vec3(0.844000,2.004000,1.646000);
positions[621] = Vec3(1.124000,0.280000,0.649000);
positions[622] = Vec3(0.689000,2.170000,0.648000);
positions[623] = Vec3(0.849000,2.666000,1.175000);
positions[624] = Vec3(2.975000,1.963000,1.308000);
positions[625] = Vec3(1.074000,2.082000,0.714000);
positions[626] = Vec3(1.284000,2.651000,1.110000);
positions[627] = Vec3(1.669000,0.205000,0.180000);
positions[628] = Vec3(1.716000,0.047000,1.253000);
positions[629] = Vec3(0.501000,2.241000,1.043000);
positions[630] = Vec3(1.038000,1.833000,0.305000);
positions[631] = Vec3(0.646000,2.431000,1.424000);
positions[632] = Vec3(1.383000,2.059000,2.230000);
positions[633] = Vec3(0.370000,2.566000,1.192000);
positions[634] = Vec3(1.355000,2.006000,0.120000);
positions[635] = Vec3(2.113000,0.075000,0.589000);
positions[636] = Vec3(1.850000,0.448000,1.890000);
positions[637] = Vec3(1.215000,2.704000,0.405000);
positions[638] = Vec3(0.575000,2.997000,1.798000);
positions[639] = Vec3(0.967000,2.586000,2.603000);
positions[640] = Vec3(0.276000,1.669000,1.430000);
positions[641] = Vec3(1.483000,2.284000,1.128000);
positions[642] = Vec3(0.983000,3.003000,1.099000);
positions[643] = Vec3(0.539000,2.222000,1.720000);
positions[644] = Vec3(0.648000,2.826000,2.751000);
positions[645] = Vec3(0.803000,1.994000,0.993000);
positions[646] = Vec3(0.451000,0.216000,1.438000);
positions[647] = Vec3(1.604000,2.512000,0.334000);
positions[648] = Vec3(1.980000,2.022000,0.588000);
positions[649] = Vec3(1.843000,2.834000,1.544000);
positions[650] = Vec3(1.835000,3.005000,2.858000);
positions[651] = Vec3(0.679000,2.499000,0.838000);
positions[652] = Vec3(0.012000,2.637000,1.524000);
positions[653] = Vec3(0.314000,2.065000,0.602000);
positions[654] = Vec3(1.157000,0.004000,0.173000);
positions[655] = Vec3(0.736000,1.705000,1.382000);
positions[656] = Vec3(1.511000,2.736000,0.690000);
positions[657] = Vec3(1.330000,2.541000,1.735000);
positions[658] = Vec3(0.744000,0.170000,0.785000);
positions[659] = Vec3(2.593000,2.794000,0.703000);
positions[660] = Vec3(0.275000,1.872000,1.043000);
positions[661] = Vec3(1.624000,2.608000,1.341000);
positions[662] = Vec3(1.382000,0.122000,2.855000);
positions[663] = Vec3(1.326000,2.434000,0.783000);
positions[664] = Vec3(0.117000,0.116000,1.254000);
positions[665] = Vec3(1.045000,2.970000,2.748000);
positions[666] = Vec3(1.341000,2.692000,2.799000);
positions[667] = Vec3(1.797000,2.586000,2.709000);
positions[668] = Vec3(0.890000,2.484000,1.716000);
positions[669] = Vec3(2.373000,2.558000,1.889000);
positions[670] = Vec3(1.566000,2.323000,2.574000);
positions[671] = Vec3(1.257000,2.280000,0.399000);
positions[672] = Vec3(0.679000,2.130000,2.434000);
positions[673] = Vec3(2.016000,2.334000,2.462000);
positions[674] = Vec3(1.077000,2.213000,2.416000);
positions[675] = Vec3(0.581000,1.950000,2.081000);
positions[676] = Vec3(0.805000,2.315000,2.810000);
positions[677] = Vec3(0.844000,1.787000,2.322000);
positions[678] = Vec3(0.980000,2.205000,0.129000);
positions[679] = Vec3(2.468000,0.603000,2.740000);
positions[680] = Vec3(2.366000,2.403000,2.299000);
positions[681] = Vec3(0.337000,2.487000,2.329000);
positions[682] = Vec3(2.007000,2.793000,2.452000);
positions[683] = Vec3(1.072000,2.571000,0.063000);
positions[684] = Vec3(1.217000,2.283000,2.806000);
positions[685] = Vec3(0.459000,2.477000,2.728000);
positions[686] = Vec3(0.958000,1.975000,2.710000);
positions[687] = Vec3(0.914000,2.111000,2.052000);
positions[688] = Vec3(0.768000,2.958000,0.075000);
positions[689] = Vec3(0.474000,1.805000,2.533000);
positions[690] = Vec3(1.313000,2.552000,2.395000);
positions[691] = Vec3(1.853000,2.014000,2.229000);
positions[692] = Vec3(2.405000,2.230000,2.658000);
positions[693] = Vec3(0.727000,1.781000,0.016000);
positions[694] = Vec3(0.974000,2.791000,2.271000);
positions[695] = Vec3(0.438000,0.096000,2.457000);
positions[696] = Vec3(0.652000,2.392000,2.064000);
positions[697] = Vec3(1.972000,2.209000,2.834000);
positions[698] = Vec3(0.333000,0.141000,2.088000);
positions[699] = Vec3(1.813000,1.952000,0.063000);
positions[700] = Vec3(0.166000,2.838000,1.877000);
positions[701] = Vec3(1.772000,0.487000,0.951000);
positions[702] = Vec3(1.924000,1.404000,1.434000);
positions[703] = Vec3(2.734000,0.348000,1.712000);
positions[704] = Vec3(2.874000,0.729000,1.811000);
positions[705] = Vec3(1.841000,0.877000,1.137000);
positions[706] = Vec3(2.327000,1.491000,1.768000);
positions[707] = Vec3(1.916000,1.483000,1.057000);
positions[708] = Vec3(2.783000,0.850000,0.745000);
positions[709] = Vec3(1.829000,1.526000,0.085000);
positions[710] = Vec3(2.426000,1.082000,0.652000);
positions[711] = Vec3(1.645000,1.241000,1.217000);
positions[712] = Vec3(2.286000,0.725000,0.084000);
positions[713] = Vec3(2.755000,0.691000,1.421000);
positions[714] = Vec3(2.651000,0.591000,1.023000);
positions[715] = Vec3(2.040000,0.863000,0.442000);
positions[716] = Vec3(0.035000,0.109000,2.497000);
positions[717] = Vec3(0.127000,1.410000,0.572000);
positions[718] = Vec3(2.174000,0.357000,0.307000);
positions[719] = Vec3(2.705000,1.508000,0.758000);
positions[720] = Vec3(2.223000,1.407000,2.913000);
positions[721] = Vec3(2.528000,1.722000,1.088000);
positions[722] = Vec3(2.860000,0.345000,0.198000);
positions[723] = Vec3(2.580000,1.789000,1.479000);
positions[724] = Vec3(2.779000,0.295000,1.295000);
positions[725] = Vec3(0.097000,0.434000,2.826000);
positions[726] = Vec3(2.952000,1.654000,1.091000);
positions[727] = Vec3(0.119000,1.878000,0.343000);
positions[728] = Vec3(1.718000,1.173000,0.327000);
positions[729] = Vec3(2.833000,0.016000,0.527000);
positions[730] = Vec3(2.085000,1.779000,2.888000);
positions[731] = Vec3(2.754000,2.952000,1.485000);
positions[732] = Vec3(2.826000,0.935000,1.162000);
positions[733] = Vec3(1.564000,1.585000,1.615000);
positions[734] = Vec3(2.132000,0.645000,1.093000);
positions[735] = Vec3(2.294000,1.490000,1.350000);
positions[736] = Vec3(0.081000,0.490000,1.479000);
positions[737] = Vec3(2.118000,1.165000,1.642000);
positions[738] = Vec3(2.141000,0.121000,1.390000);
positions[739] = Vec3(2.385000,0.389000,1.196000);
positions[740] = Vec3(0.049000,0.166000,0.817000);
positions[741] = Vec3(1.993000,0.806000,1.814000);
positions[742] = Vec3(0.006000,1.450000,0.171000);
positions[743] = Vec3(2.297000,0.428000,0.764000);
positions[744] = Vec3(2.851000,0.469000,2.114000);
positions[745] = Vec3(1.814000,1.957000,0.945000);
positions[746] = Vec3(0.386000,0.327000,0.902000);
positions[747] = Vec3(2.452000,1.070000,1.807000);
positions[748] = Vec3(2.309000,1.537000,2.159000);
positions[749] = Vec3(2.712000,1.497000,2.007000);
positions[750] = Vec3(1.727000,0.924000,1.503000);
positions[751] = Vec3(0.861000,0.801000,0.344000);
positions[752] = Vec3(1.740000,1.245000,0.819000);
positions[753] = Vec3(0.117000,0.042000,0.197000);
positions[754] = Vec3(2.557000,0.996000,0.317000);
positions[755] = Vec3(2.228000,1.588000,2.548000);
positions[756] = Vec3(2.849000,1.557000,2.708000);
positions[757] = Vec3(0.152000,1.107000,0.219000);
positions[758] = Vec3(2.460000,1.318000,1.002000);
positions[759] = Vec3(2.405000,1.436000,0.528000);
positions[760] = Vec3(2.135000,1.179000,2.046000);
positions[761] = Vec3(1.726000,0.588000,0.286000);
positions[762] = Vec3(2.831000,1.053000,1.538000);
positions[763] = Vec3(1.932000,1.556000,1.833000);
positions[764] = Vec3(2.423000,0.900000,1.064000);
positions[765] = Vec3(3.001000,1.807000,0.709000);
positions[766] = Vec3(0.578000,1.095000,0.223000);
positions[767] = Vec3(2.215000,1.160000,0.252000);
positions[768] = Vec3(2.050000,0.921000,0.835000);
positions[769] = Vec3(2.080000,1.682000,0.738000);
positions[770] = Vec3(2.851000,1.753000,0.027000);
positions[771] = Vec3(0.203000,0.509000,0.202000);
positions[772] = Vec3(1.967000,1.018000,0.018000);
positions[773] = Vec3(1.869000,0.878000,2.472000);
positions[774] = Vec3(1.917000,0.228000,2.507000);
positions[775] = Vec3(0.316000,0.795000,2.991000);
positions[776] = Vec3(2.175000,1.229000,2.472000);
positions[777] = Vec3(2.405000,1.062000,2.931000);
positions[778] = Vec3(2.501000,0.511000,2.369000);
positions[779] = Vec3(2.641000,0.819000,2.141000);
positions[780] = Vec3(0.649000,1.384000,3.006000);
positions[781] = Vec3(1.012000,0.329000,2.963000);
positions[782] = Vec3(2.755000,0.350000,2.718000);
positions[783] = Vec3(2.315000,0.153000,2.454000);
positions[784] = Vec3(2.583000,1.696000,2.389000);
positions[785] = Vec3(0.439000,2.593000,1.776000);
positions[786] = Vec3(2.630000,1.390000,0.116000);
positions[787] = Vec3(2.854000,0.669000,2.478000);
positions[788] = Vec3(2.551000,1.342000,2.621000);
positions[789] = Vec3(2.533000,2.734000,2.987000);
positions[790] = Vec3(2.772000,2.446000,2.875000);
positions[791] = Vec3(2.817000,1.051000,2.498000);
positions[792] = Vec3(2.688000,1.404000,1.621000);
positions[793] = Vec3(0.083000,2.737000,2.775000);
positions[794] = Vec3(2.514000,0.322000,2.041000);
positions[795] = Vec3(2.470000,0.900000,2.504000);
positions[796] = Vec3(2.790000,0.444000,0.624000);
positions[797] = Vec3(0.040000,0.840000,2.202000);
positions[798] = Vec3(0.530000,1.067000,2.764000);
positions[799] = Vec3(0.191000,1.385000,2.541000);
positions[800] = Vec3(2.465000,0.363000,0.051000);
positions[801] = Vec3(1.850000,1.902000,2.592000);
positions[802] = Vec3(1.432000,0.306000,2.449000);
positions[803] = Vec3(2.259000,0.489000,1.753000);
positions[804] = Vec3(2.803000,1.118000,1.956000);
positions[805] = Vec3(2.426000,0.147000,1.636000);
positions[806] = Vec3(2.880000,1.846000,2.133000);
positions[807] = Vec3(2.862000,2.110000,1.867000);
positions[808] = Vec3(0.424000,1.184000,2.299000);
positions[809] = Vec3(2.518000,1.218000,2.228000);
positions[810] = Vec3(2.153000,0.834000,1.468000);
positions[811] = Vec3(0.105000,1.397000,2.088000);
positions[812] = Vec3(2.579000,0.601000,0.316000);
positions[813] = Vec3(2.594000,2.106000,2.968000);
positions[814] = Vec3(0.448000,1.435000,1.783000);
positions[815] = Vec3(2.125000,0.299000,2.132000);
positions[816] = Vec3(2.849000,1.402000,2.356000);
positions[817] = Vec3(2.956000,0.091000,2.078000);
positions[818] = Vec3(0.156000,1.696000,2.357000);
positions[819] = Vec3(1.566000,2.211000,1.557000);
positions[820] = Vec3(2.047000,0.194000,0.985000);
positions[821] = Vec3(1.947000,2.680000,0.488000);
positions[822] = Vec3(2.343000,2.796000,1.447000);
positions[823] = Vec3(2.006000,2.332000,0.265000);
positions[824] = Vec3(2.396000,1.834000,0.546000);
positions[825] = Vec3(2.538000,2.059000,2.207000);
positions[826] = Vec3(0.110000,2.360000,0.447000);
positions[827] = Vec3(2.198000,2.448000,1.136000);
positions[828] = Vec3(2.420000,2.121000,1.271000);
positions[829] = Vec3(0.422000,2.192000,0.260000);
positions[830] = Vec3(2.145000,2.767000,2.839000);
positions[831] = Vec3(2.434000,2.398000,0.421000);
positions[832] = Vec3(2.489000,2.175000,1.718000);
positions[833] = Vec3(2.870000,2.527000,0.814000);
positions[834] = Vec3(2.741000,2.016000,0.337000);
positions[835] = Vec3(1.997000,2.574000,2.107000);
positions[836] = Vec3(0.002000,2.128000,0.932000);
positions[837] = Vec3(2.787000,2.375000,0.234000);
positions[838] = Vec3(2.235000,1.852000,1.620000);
positions[839] = Vec3(2.782000,1.642000,0.422000);
positions[840] = Vec3(2.915000,1.760000,1.699000);
positions[841] = Vec3(2.047000,2.178000,1.549000);
positions[842] = Vec3(1.808000,1.878000,1.556000);
positions[843] = Vec3(2.224000,2.043000,0.913000);
positions[844] = Vec3(2.619000,2.611000,1.237000);
positions[845] = Vec3(2.916000,2.726000,0.168000);
positions[846] = Vec3(2.021000,2.833000,1.176000);
positions[847] = Vec3(2.967000,2.308000,2.258000);
positions[848] = Vec3(2.778000,2.270000,1.477000);
positions[849] = Vec3(2.121000,1.834000,2.002000);
positions[850] = Vec3(2.097000,2.752000,0.808000);
positions[851] = Vec3(1.897000,0.566000,1.501000);
positions[852] = Vec3(0.359000,2.802000,0.036000);
positions[853] = Vec3(2.966000,2.454000,1.186000);
positions[854] = Vec3(2.461000,2.964000,1.132000);
positions[855] = Vec3(2.093000,1.821000,1.243000);
positions[856] = Vec3(1.706000,2.659000,1.841000);
positions[857] = Vec3(2.074000,1.709000,0.342000);
positions[858] = Vec3(2.137000,2.894000,1.813000);
positions[859] = Vec3(0.223000,2.293000,1.417000);
positions[860] = Vec3(2.637000,0.007000,0.197000);
positions[861] = Vec3(1.416000,0.050000,0.483000);
positions[862] = Vec3(1.845000,2.250000,1.251000);
positions[863] = Vec3(2.906000,0.034000,2.896000);
positions[864] = Vec3(2.481000,0.204000,0.474000);
positions[865] = Vec3(2.234000,2.051000,0.158000);
positions[866] = Vec3(0.185000,2.453000,0.055000);
positions[867] = Vec3(2.509000,0.048000,2.786000);
positions[868] = Vec3(2.202000,2.206000,2.027000);
positions[869] = Vec3(0.061000,2.367000,2.656000);
positions[870] = Vec3(3.003000,2.755000,2.241000);
positions[871] = Vec3(0.297000,2.131000,2.463000);
positions[872] = Vec3(1.553000,0.429000,1.573000);
positions[873] = Vec3(2.506000,1.832000,1.911000);
positions[874] = Vec3(2.472000,1.814000,2.759000);
positions[875] = Vec3(1.922000,1.563000,2.278000);
positions[876] = Vec3(2.623000,2.666000,2.169000);
positions[877] = Vec3(0.120000,1.834000,2.723000);
positions[878] = Vec3(0.294000,0.103000,2.826000);
positions[879] = Vec3(2.364000,2.821000,0.417000);
positions[880] = Vec3(2.446000,1.734000,0.153000);
positions[881] = Vec3(2.777000,2.037000,2.565000);
positions[882] = Vec3(2.837000,2.477000,1.924000);
positions[883] = Vec3(2.221000,1.961000,2.443000);
positions[884] = Vec3(2.284000,2.895000,2.157000);
positions[885] = Vec3(2.728000,2.880000,1.861000);
positions[886] = Vec3(0.454000,2.080000,2.868000);
positions[887] = Vec3(2.430000,2.790000,2.524000);
positions[888] = Vec3(1.808000,2.213000,1.899000);
positions[889] = Vec3(2.666000,0.053000,2.309000);
positions[890] = Vec3(2.290000,2.408000,2.995000);
positions[891] = Vec3(2.646000,2.592000,1.625000);
positions[892] = Vec3(2.750000,2.508000,2.489000);
positions[893] = Vec3(0.211000,1.753000,1.939000);
platforms/reference/tests/nacl_amorph_GromacsForcesEwald.dat deleted 100644 → 0
View file @ b11af401
ASSERT_EQUAL_VEC(Vec3(-1.98249623e+02, -2.23814501e+02, -1.02563796e+02), forces1[0], tol);
ASSERT_EQUAL_VEC(Vec3( 4.44017199e+02, -3.90390764e+02, -8.09518867e+01), forces1[1], tol);
ASSERT_EQUAL_VEC(Vec3(-8.60789585e+01, -1.05598857e+01, -1.87798624e+02), forces1[2], tol);
ASSERT_EQUAL_VEC(Vec3( 7.05363534e+02, -1.69549058e+02, 2.72466252e+02), forces1[3], tol);
ASSERT_EQUAL_VEC(Vec3(-2.19333527e+01, 5.33284079e+02, -4.56197740e+01), forces1[4], tol);
ASSERT_EQUAL_VEC(Vec3(-3.04281837e+02, 2.02941152e+02, 1.20252918e+02), forces1[5], tol);
ASSERT_EQUAL_VEC(Vec3( 1.14210928e+02, 1.21079746e+02, 3.40929279e+02), forces1[6], tol);
ASSERT_EQUAL_VEC(Vec3(-4.02295448e+01, 3.78740176e+02, 1.07262493e+02), forces1[7], tol);
ASSERT_EQUAL_VEC(Vec3( 9.42807014e+01, 1.00891659e+01, 1.57729175e+02), forces1[8], tol);
ASSERT_EQUAL_VEC(Vec3( 2.98424830e+02, 1.18614285e+02, -4.17503362e+02), forces1[9], tol);
ASSERT_EQUAL_VEC(Vec3( 4.74881296e+01, -5.56206792e+00, -1.92332367e+02), forces1[10], tol);
ASSERT_EQUAL_VEC(Vec3(-3.61201909e+02, 4.00192313e+02, -3.38469181e+02), forces1[11], tol);
ASSERT_EQUAL_VEC(Vec3( 1.59855287e+02, -2.22184057e+02, -1.71814608e+02), forces1[12], tol);
ASSERT_EQUAL_VEC(Vec3( 8.02099562e+01, -2.46176977e+02, 1.49725960e+02), forces1[13], tol);
ASSERT_EQUAL_VEC(Vec3(-2.41478578e+02, -8.22327152e+01, -4.19802587e+02), forces1[14], tol);
ASSERT_EQUAL_VEC(Vec3(-2.42767767e+02, 4.99651070e+00, 1.89314504e+01), forces1[15], tol);
ASSERT_EQUAL_VEC(Vec3(-2.32048202e+02, 2.91141605e+02, -1.56147406e+02), forces1[16], tol);
ASSERT_EQUAL_VEC(Vec3(-8.77435572e+01, -4.75580602e+02, -2.02736231e+02), forces1[17], tol);
ASSERT_EQUAL_VEC(Vec3( 3.96101687e+02, -6.37149049e+02, 1.78647561e+02), forces1[18], tol);
ASSERT_EQUAL_VEC(Vec3( 3.72219707e+02, 1.17763530e+02, 2.14244129e+02), forces1[19], tol);
ASSERT_EQUAL_VEC(Vec3( 4.50062822e+02, -1.37575208e+01, 2.39948230e+02), forces1[20], tol);
ASSERT_EQUAL_VEC(Vec3( 2.00029587e+02, 3.30130171e+01, 8.51610501e+01), forces1[21], tol);
ASSERT_EQUAL_VEC(Vec3( 1.97192878e+02, 7.33293743e+02, 2.15221280e+01), forces1[22], tol);
ASSERT_EQUAL_VEC(Vec3(-1.44377368e+02, 9.15716307e+01, 3.18892747e+01), forces1[23], tol);
ASSERT_EQUAL_VEC(Vec3( 2.94552317e+02, -3.69040394e+02, 2.70288945e+00), forces1[24], tol);
ASSERT_EQUAL_VEC(Vec3( 3.23120142e+02, 8.86114454e+02, 3.24450894e+02), forces1[25], tol);
ASSERT_EQUAL_VEC(Vec3(-6.03295072e+01, 1.68456989e+02, 2.31869997e+02), forces1[26], tol);
ASSERT_EQUAL_VEC(Vec3( 2.93194241e+01, 5.76413549e+01, 3.64010103e+02), forces1[27], tol);
ASSERT_EQUAL_VEC(Vec3( 3.27452172e-01, 1.34469263e+02, -4.39755475e+01), forces1[28], tol);
ASSERT_EQUAL_VEC(Vec3(-1.38717677e+02, -2.99570604e+02, -2.80339165e+02), forces1[29], tol);
ASSERT_EQUAL_VEC(Vec3(-8.27937873e+01, 4.40618490e+02, 9.65587062e+01), forces1[30], tol);
ASSERT_EQUAL_VEC(Vec3( 2.03855205e+01, -4.37745725e+01, -5.06881413e+01), forces1[31], tol);
ASSERT_EQUAL_VEC(Vec3(-2.60745980e+02, 3.70683505e+02, 1.28613276e+02), forces1[32], tol);
ASSERT_EQUAL_VEC(Vec3( 1.97960989e+02, -1.51970994e+01, -2.85732029e+02), forces1[33], tol);
ASSERT_EQUAL_VEC(Vec3(-2.63675933e+01, -1.29448310e+01, -2.36632787e+02), forces1[34], tol);
ASSERT_EQUAL_VEC(Vec3( 2.13614470e+02, -2.29632590e+02, -7.72843645e+02), forces1[35], tol);
ASSERT_EQUAL_VEC(Vec3(-4.26287747e+01, 9.00718113e+01, 3.48807737e+02), forces1[36], tol);
ASSERT_EQUAL_VEC(Vec3(-2.27779547e+02, -8.46450565e+00, -3.25578367e+02), forces1[37], tol);
ASSERT_EQUAL_VEC(Vec3(-8.32052751e+01, -2.50968185e+02, 5.80103845e+01), forces1[38], tol);
ASSERT_EQUAL_VEC(Vec3(-2.32232234e+02, 1.30470270e+02, 6.06495521e+00), forces1[39], tol);
ASSERT_EQUAL_VEC(Vec3(-1.14455494e+02, -3.48721419e+01, -8.76129455e+01), forces1[40], tol);
ASSERT_EQUAL_VEC(Vec3(-2.55340689e+02, -2.79204188e+02, -1.68792912e+02), forces1[41], tol);
ASSERT_EQUAL_VEC(Vec3(-2.02307452e+02, 1.47895858e+02, 1.75220456e+02), forces1[42], tol);
ASSERT_EQUAL_VEC(Vec3( 2.63185604e+01, -4.46985150e+02, -2.38821173e+00), forces1[43], tol);
ASSERT_EQUAL_VEC(Vec3( 2.55944000e+02, -2.93439747e+02, 3.28025974e+02), forces1[44], tol);
ASSERT_EQUAL_VEC(Vec3( 1.14311082e+02, 2.24380865e+02, -8.29696179e+01), forces1[45], tol);
ASSERT_EQUAL_VEC(Vec3( 1.43326861e+01, 2.46491923e+02, -3.75165407e+02), forces1[46], tol);
ASSERT_EQUAL_VEC(Vec3(-4.34792273e+02, -9.73250775e+01, -1.91085096e+02), forces1[47], tol);
ASSERT_EQUAL_VEC(Vec3( 5.23123306e+01, 5.50975366e+02, 2.90221875e+02), forces1[48], tol);
ASSERT_EQUAL_VEC(Vec3(-4.83894734e+01, 1.71476996e+02, -3.42294535e+02), forces1[49], tol);
ASSERT_EQUAL_VEC(Vec3(-2.61463419e+02, 9.01733107e+01, 3.64114372e+02), forces1[50], tol);
ASSERT_EQUAL_VEC(Vec3( 4.43625180e+02, -5.19324924e+02, -7.74662441e+01), forces1[51], tol);
ASSERT_EQUAL_VEC(Vec3( 2.15611073e+02, -5.54577351e+02, 1.71371860e+02), forces1[52], tol);
ASSERT_EQUAL_VEC(Vec3(-2.14763168e+02, 3.56711285e+02, -3.71984643e+02), forces1[53], tol);
ASSERT_EQUAL_VEC(Vec3( 2.22124509e+02, 2.73223318e+02, 1.61942563e+02), forces1[54], tol);
ASSERT_EQUAL_VEC(Vec3( 2.85121911e+02, 3.19143598e+02, -1.98763562e+02), forces1[55], tol);
ASSERT_EQUAL_VEC(Vec3( 3.90039513e+02, 5.91179187e+02, 8.76217046e+01), forces1[56], tol);
ASSERT_EQUAL_VEC(Vec3( 1.69060954e+02, -9.43142940e+01, 3.42180838e+02), forces1[57], tol);
ASSERT_EQUAL_VEC(Vec3( 2.93242309e+01, -1.03060738e+02, 5.38025654e+01), forces1[58], tol);
ASSERT_EQUAL_VEC(Vec3( 4.09077298e+01, 1.30026064e+02, -7.16489622e+01), forces1[59], tol);
ASSERT_EQUAL_VEC(Vec3(-1.89926185e+02, 5.52058739e+00, 4.53549674e+02), forces1[60], tol);
ASSERT_EQUAL_VEC(Vec3(-1.11572641e+02, 1.24178624e+02, 4.53016222e+02), forces1[61], tol);
ASSERT_EQUAL_VEC(Vec3( 1.54599730e+02, -2.70150115e+02, -7.89492689e+01), forces1[62], tol);
ASSERT_EQUAL_VEC(Vec3( 2.84023026e+02, -8.89934391e+01, 3.24522873e+02), forces1[63], tol);
ASSERT_EQUAL_VEC(Vec3( 1.44364280e+02, -7.96613821e+01, -2.53253756e+02), forces1[64], tol);
ASSERT_EQUAL_VEC(Vec3(-1.77719009e+02, 8.42958696e+01, -1.41078307e+02), forces1[65], tol);
ASSERT_EQUAL_VEC(Vec3(-2.69676443e+02, -5.26499439e+02, -1.04061540e+02), forces1[66], tol);
ASSERT_EQUAL_VEC(Vec3(-2.41597419e+02, -9.41368613e+01, 3.30311173e+01), forces1[67], tol);
ASSERT_EQUAL_VEC(Vec3( 6.81038324e+02, -5.79215726e+02, -9.61706079e-01), forces1[68], tol);
ASSERT_EQUAL_VEC(Vec3( 2.88768459e+02, 2.41571264e+02, -1.90674774e+02), forces1[69], tol);
ASSERT_EQUAL_VEC(Vec3(-1.31534697e+01, 1.14188032e+01, 4.13763857e+01), forces1[70], tol);
ASSERT_EQUAL_VEC(Vec3( 5.14246004e+01, -9.72308438e+01, 1.27291275e+01), forces1[71], tol);
ASSERT_EQUAL_VEC(Vec3( 7.15804377e+01, -1.94144101e+02, -2.48994830e+02), forces1[72], tol);
ASSERT_EQUAL_VEC(Vec3(-9.16897832e+01, 1.23379998e+02, -2.86172337e+02), forces1[73], tol);
ASSERT_EQUAL_VEC(Vec3( 9.82636682e+01, -7.07069901e+01, -1.29205135e+02), forces1[74], tol);
ASSERT_EQUAL_VEC(Vec3(-2.15565256e+02, -1.43101075e+02, -1.96437192e+02), forces1[75], tol);
ASSERT_EQUAL_VEC(Vec3(-4.61171340e+02, -4.03099962e+02, -4.56004212e+01), forces1[76], tol);
ASSERT_EQUAL_VEC(Vec3( 1.52879441e+02, -9.37786956e+02, 2.93596349e+02), forces1[77], tol);
ASSERT_EQUAL_VEC(Vec3( 2.45712108e+02, 1.99809051e+01, 1.17930077e+02), forces1[78], tol);
ASSERT_EQUAL_VEC(Vec3(-2.37060951e+02, 2.49499642e+02, 2.13427566e+02), forces1[79], tol);
ASSERT_EQUAL_VEC(Vec3(-2.90549561e+02, 1.91148461e+02, -4.24254939e+02), forces1[80], tol);
ASSERT_EQUAL_VEC(Vec3( 2.98836434e+02, -5.77088507e+00, 2.66616885e+02), forces1[81], tol);
ASSERT_EQUAL_VEC(Vec3(-3.26780820e+02, -2.54755214e+02, -3.00078477e+02), forces1[82], tol);
ASSERT_EQUAL_VEC(Vec3(-2.95124543e+02, 1.21754917e+02, -2.83484560e+02), forces1[83], tol);
ASSERT_EQUAL_VEC(Vec3( 4.04593126e+02, 1.66803214e+02, -5.58277653e+01), forces1[84], tol);
ASSERT_EQUAL_VEC(Vec3(-8.21659385e+02, 5.19877016e+02, 5.32042741e+01), forces1[85], tol);
ASSERT_EQUAL_VEC(Vec3(-3.49440439e+02, -1.47667513e+02, -4.95516065e+02), forces1[86], tol);
ASSERT_EQUAL_VEC(Vec3(-4.48873387e+02, -7.41398759e+01, -4.28615258e+02), forces1[87], tol);
ASSERT_EQUAL_VEC(Vec3(-1.97035390e+02, -3.40619723e+02, 2.10014966e+00), forces1[88], tol);
ASSERT_EQUAL_VEC(Vec3( 9.52521998e+01, -4.20785075e+02, 5.76686444e+01), forces1[89], tol);
ASSERT_EQUAL_VEC(Vec3( 1.21817965e+02, -1.40423441e+02, -2.93286277e+02), forces1[90], tol);
ASSERT_EQUAL_VEC(Vec3( 2.10624944e+02, 5.87898789e+01, 7.23535437e+01), forces1[91], tol);
ASSERT_EQUAL_VEC(Vec3( 6.72728656e+01, -1.46951701e+02, -2.63713434e+02), forces1[92], tol);
ASSERT_EQUAL_VEC(Vec3( 3.96770378e+02, -4.38652663e+02, -2.57914104e+02), forces1[93], tol);
ASSERT_EQUAL_VEC(Vec3(-2.66188937e+01, 1.59124875e+01, 4.36635801e+02), forces1[94], tol);
ASSERT_EQUAL_VEC(Vec3(-3.00011356e+02, -6.20659688e+01, -4.29149613e+02), forces1[95], tol);
ASSERT_EQUAL_VEC(Vec3(-1.77048319e+02, 5.58928761e+01, 1.05662322e+02), forces1[96], tol);
ASSERT_EQUAL_VEC(Vec3(-6.92523247e+01, -5.45436653e+02, -2.10975756e+01), forces1[97], tol);
ASSERT_EQUAL_VEC(Vec3(-3.90136268e+01, -1.21131977e+02, 1.68383284e+01), forces1[98], tol);
ASSERT_EQUAL_VEC(Vec3(-2.19709988e+01, 1.51713780e+02, -3.39192065e+01), forces1[99], tol);
ASSERT_EQUAL_VEC(Vec3( 9.20577922e+01, -4.22560191e+02, -1.80919327e+01), forces1[100], tol);
ASSERT_EQUAL_VEC(Vec3( 5.80665653e+01, 1.45405257e+02, -4.53162940e+01), forces1[101], tol);
ASSERT_EQUAL_VEC(Vec3( 6.12566193e+02, -1.41221826e+01, 2.13579029e+02), forces1[102], tol);
ASSERT_EQUAL_VEC(Vec3(-1.02954777e+02, -8.76455433e+01, 2.20912307e+02), forces1[103], tol);
ASSERT_EQUAL_VEC(Vec3( 1.44791352e+02, -2.88999813e+02, 1.68134104e+02), forces1[104], tol);
ASSERT_EQUAL_VEC(Vec3( 9.68813543e+01, -2.62260178e+02, -3.07286290e+02), forces1[105], tol);
ASSERT_EQUAL_VEC(Vec3(-1.09040958e+02, -2.43241310e+02, -2.45238041e+02), forces1[106], tol);
ASSERT_EQUAL_VEC(Vec3( 1.89550491e+02, 1.49319105e+02, -3.74285248e+02), forces1[107], tol);
ASSERT_EQUAL_VEC(Vec3( 1.20763399e+02, -1.66082622e+02, -4.46381843e+02), forces1[108], tol);
ASSERT_EQUAL_VEC(Vec3(-6.91025497e+02, 6.62244311e+02, 3.06047534e+01), forces1[109], tol);
ASSERT_EQUAL_VEC(Vec3(-1.61280438e+02, 8.89755700e+01, -3.35630671e+01), forces1[110], tol);
ASSERT_EQUAL_VEC(Vec3(-4.17338144e+02, 4.26061590e+01, -7.77158559e+01), forces1[111], tol);
ASSERT_EQUAL_VEC(Vec3(-4.01742893e+01, 8.24881666e+01, 4.51855292e+02), forces1[112], tol);
ASSERT_EQUAL_VEC(Vec3(-1.40970558e+01, -2.40647487e+02, -1.27598454e+02), forces1[113], tol);
ASSERT_EQUAL_VEC(Vec3( 2.83839724e+02, 2.31041423e+02, 1.33456841e+01), forces1[114], tol);
ASSERT_EQUAL_VEC(Vec3( 5.10867089e+01, -7.13361227e+02, -4.07617467e+02), forces1[115], tol);
ASSERT_EQUAL_VEC(Vec3(-1.56090473e+02, -1.33121120e+02, 2.25952345e+02), forces1[116], tol);
ASSERT_EQUAL_VEC(Vec3( 3.69607528e+01, -1.35106805e+01, 1.10579378e+02), forces1[117], tol);
ASSERT_EQUAL_VEC(Vec3( 3.37809441e+02, 8.10519215e+01, -5.39817090e+01), forces1[118], tol);
ASSERT_EQUAL_VEC(Vec3( 5.49975558e+01, 7.55006073e+01, 1.80545525e+02), forces1[119], tol);
ASSERT_EQUAL_VEC(Vec3( 1.10971245e+02, -3.83971391e+02, 2.77991517e+01), forces1[120], tol);
ASSERT_EQUAL_VEC(Vec3(-2.63190529e+02, -3.16285880e+02, -3.95218767e+02), forces1[121], tol);
ASSERT_EQUAL_VEC(Vec3( 3.42556090e+02, -2.35748098e+02, 4.60355306e+02), forces1[122], tol);
ASSERT_EQUAL_VEC(Vec3( 2.47668934e+02, 2.42870015e+02, 1.52218275e+02), forces1[123], tol);
ASSERT_EQUAL_VEC(Vec3(-2.70198409e+02, 2.08574994e+02, -1.86859372e+02), forces1[124], tol);
ASSERT_EQUAL_VEC(Vec3( 3.24104326e+02, 2.55001752e+02, -1.10880955e+02), forces1[125], tol);
ASSERT_EQUAL_VEC(Vec3( 5.16197105e+02, -5.06150948e+01, -2.80857737e+02), forces1[126], tol);
ASSERT_EQUAL_VEC(Vec3(-3.30849573e+02, -3.47291965e+02, 1.45237748e+02), forces1[127], tol);
ASSERT_EQUAL_VEC(Vec3(-1.28356764e+02, 7.69134918e+01, 2.14911544e+02), forces1[128], tol);
ASSERT_EQUAL_VEC(Vec3(-1.91469755e+02, -2.11473339e+02, 1.35333200e+02), forces1[129], tol);
ASSERT_EQUAL_VEC(Vec3(-2.69887152e+02, 1.11337990e+02, -8.98463460e+01), forces1[130], tol);
ASSERT_EQUAL_VEC(Vec3(-1.36374172e+02, -2.14238377e+02, -5.83866682e+01), forces1[131], tol);
ASSERT_EQUAL_VEC(Vec3(-1.38562455e+02, 2.36128851e+02, -2.08960526e+01), forces1[132], tol);
ASSERT_EQUAL_VEC(Vec3(-2.47599869e+02, 3.98208933e+02, -1.64765063e+02), forces1[133], tol);
ASSERT_EQUAL_VEC(Vec3(-8.37476276e+01, 4.07965070e+02, -1.24163988e+02), forces1[134], tol);
ASSERT_EQUAL_VEC(Vec3(-1.60159071e+02, -6.49998978e+00, 3.55060364e+02), forces1[135], tol);
ASSERT_EQUAL_VEC(Vec3( 3.58249937e+02, -2.81395872e+02, -1.28020722e+02), forces1[136], tol);
ASSERT_EQUAL_VEC(Vec3( 3.33746078e+02, -3.31207307e+02, -2.41631386e+01), forces1[137], tol);
ASSERT_EQUAL_VEC(Vec3(-3.00676509e+02, -1.70097272e+02, 8.30597971e+01), forces1[138], tol);
ASSERT_EQUAL_VEC(Vec3(-1.94891185e+01, 1.35846931e+02, -3.65144038e+02), forces1[139], tol);
ASSERT_EQUAL_VEC(Vec3(-1.77181788e+02, 4.44531481e+01, 2.11474121e+02), forces1[140], tol);
ASSERT_EQUAL_VEC(Vec3( 4.59275521e+02, -3.23637233e+02, 3.67800802e+02), forces1[141], tol);
ASSERT_EQUAL_VEC(Vec3( 4.22121423e+02, 2.22068413e+02, 2.92465809e+02), forces1[142], tol);
ASSERT_EQUAL_VEC(Vec3( 2.83763316e+02, -2.92602600e+02, 8.18013996e+01), forces1[143], tol);
ASSERT_EQUAL_VEC(Vec3(-5.70559390e+01, 2.40295170e+02, -3.40862650e+01), forces1[144], tol);
ASSERT_EQUAL_VEC(Vec3( 1.04075222e+02, 1.58996510e+02, 1.10304777e+01), forces1[145], tol);
ASSERT_EQUAL_VEC(Vec3( 5.88502616e+02, 2.07880339e+02, -7.36908474e+01), forces1[146], tol);
ASSERT_EQUAL_VEC(Vec3( 2.82632623e+02, 2.25995810e+02, 2.16745828e+02), forces1[147], tol);
ASSERT_EQUAL_VEC(Vec3(-2.02435189e+02, 1.65899995e+02, -1.47471730e+02), forces1[148], tol);
ASSERT_EQUAL_VEC(Vec3(-2.96622169e+02, -4.87423685e+02, 1.60844164e+02), forces1[149], tol);
ASSERT_EQUAL_VEC(Vec3( 2.94715891e+02, 1.30347848e+02, 2.82729974e+01), forces1[150], tol);
ASSERT_EQUAL_VEC(Vec3( 3.70885287e+02, 3.22229123e+01, 8.74581871e+01), forces1[151], tol);
ASSERT_EQUAL_VEC(Vec3( 3.43994702e+02, -2.07935556e+02, 3.49067383e+02), forces1[152], tol);
ASSERT_EQUAL_VEC(Vec3( 1.43099882e+01, -2.80336001e+02, 5.69626314e+01), forces1[153], tol);
ASSERT_EQUAL_VEC(Vec3( 9.71948870e+01, 1.42192042e+01, 1.00139441e+02), forces1[154], tol);
ASSERT_EQUAL_VEC(Vec3( 2.56990028e+02, -1.87993683e+01, -1.07611017e+02), forces1[155], tol);
ASSERT_EQUAL_VEC(Vec3( 4.20275466e+02, 1.16943633e+02, 4.29575935e+02), forces1[156], tol);
ASSERT_EQUAL_VEC(Vec3(-2.05593618e+02, -2.74949188e+02, 1.32851151e+02), forces1[157], tol);
ASSERT_EQUAL_VEC(Vec3( 2.88917359e+01, 1.07824736e+01, -2.09437913e+02), forces1[158], tol);
ASSERT_EQUAL_VEC(Vec3(-4.54601782e+02, -2.58268961e+01, -2.66964578e+02), forces1[159], tol);
ASSERT_EQUAL_VEC(Vec3( 5.91049307e+02, -7.76470493e+01, 9.29094217e+01), forces1[160], tol);
ASSERT_EQUAL_VEC(Vec3(-8.26256556e+00, 2.39614788e+02, 1.04874825e+02), forces1[161], tol);
ASSERT_EQUAL_VEC(Vec3( 4.79904829e+01, -1.73703832e+02, -5.98140813e+01), forces1[162], tol);
ASSERT_EQUAL_VEC(Vec3(-1.26007450e+02, 1.64300309e+02, -4.23289873e+02), forces1[163], tol);
ASSERT_EQUAL_VEC(Vec3(-2.03205374e+02, 1.46921807e+02, 2.50701909e+02), forces1[164], tol);
ASSERT_EQUAL_VEC(Vec3(-1.38813652e+02, 1.32930267e+02, 2.75556760e+02), forces1[165], tol);
ASSERT_EQUAL_VEC(Vec3( 9.19035624e+01, -1.55653738e+02, 1.24210719e+02), forces1[166], tol);
ASSERT_EQUAL_VEC(Vec3( 2.09938122e+02, 1.26973729e+02, -3.32817155e+02), forces1[167], tol);
ASSERT_EQUAL_VEC(Vec3( 2.56206143e+02, 6.10122855e+00, 3.42771101e+02), forces1[168], tol);
ASSERT_EQUAL_VEC(Vec3( 3.11438984e+02, 9.42198048e+01, -8.51953228e+00), forces1[169], tol);
ASSERT_EQUAL_VEC(Vec3( 1.78692126e+02, -1.36964221e+01, -2.21830640e+01), forces1[170], tol);
ASSERT_EQUAL_VEC(Vec3(-4.69093086e+01, 5.77169523e+02, 1.04262190e+02), forces1[171], tol);
ASSERT_EQUAL_VEC(Vec3( 1.31254187e+02, 7.57774979e+01, -9.08207172e+01), forces1[172], tol);
ASSERT_EQUAL_VEC(Vec3(-1.69436483e+02, -3.62015361e+02, 2.68889227e+02), forces1[173], tol);
ASSERT_EQUAL_VEC(Vec3(-1.68463797e+02, -2.62627703e+02, 7.41106664e+01), forces1[174], tol);
ASSERT_EQUAL_VEC(Vec3(-2.53154790e+02, 2.68914173e+02, -3.92489521e+02), forces1[175], tol);
ASSERT_EQUAL_VEC(Vec3( 1.95110073e+02, -5.76611142e+01, 3.91951958e+02), forces1[176], tol);
ASSERT_EQUAL_VEC(Vec3( 2.43338357e+02, -3.91477149e+02, -8.63953114e+01), forces1[177], tol);
ASSERT_EQUAL_VEC(Vec3(-1.34179863e+02, 1.46591166e+02, 1.19878040e+02), forces1[178], tol);
ASSERT_EQUAL_VEC(Vec3( 1.63174304e+02, -2.66960106e+02, 1.65770978e+02), forces1[179], tol);
ASSERT_EQUAL_VEC(Vec3( 5.46495327e+01, 6.58671492e+01, -4.94244139e+02), forces1[180], tol);
ASSERT_EQUAL_VEC(Vec3(-1.62957088e+02, 1.53806002e+02, 2.72147870e+01), forces1[181], tol);
ASSERT_EQUAL_VEC(Vec3(-1.97769720e+02, -9.08099669e+01, -5.59653565e+02), forces1[182], tol);
ASSERT_EQUAL_VEC(Vec3(-9.59272102e+01, -3.67219179e+02, -1.37098968e+02), forces1[183], tol);
ASSERT_EQUAL_VEC(Vec3(-3.13273853e+02, -4.77528382e+02, -2.82320271e+02), forces1[184], tol);
ASSERT_EQUAL_VEC(Vec3( 3.47090516e+01, -1.51861017e+02, -2.71782882e+02), forces1[185], tol);
ASSERT_EQUAL_VEC(Vec3(-1.09985174e+02, 7.60658358e+01, -1.90751868e+02), forces1[186], tol);
ASSERT_EQUAL_VEC(Vec3( 3.49595143e+02, 1.52747707e+02, 4.22488620e+02), forces1[187], tol);
ASSERT_EQUAL_VEC(Vec3(-3.59725754e+01, 3.55475701e+01, -7.87334885e+01), forces1[188], tol);
ASSERT_EQUAL_VEC(Vec3(-5.53788647e+02, 1.58101235e+02, -5.47105678e+01), forces1[189], tol);
ASSERT_EQUAL_VEC(Vec3( 8.55520733e+01, -2.88444498e+02, 2.54318577e+01), forces1[190], tol);
ASSERT_EQUAL_VEC(Vec3( 1.96800399e+02, 1.69077439e+02, 2.41074010e+02), forces1[191], tol);
ASSERT_EQUAL_VEC(Vec3( 7.64011738e+01, 3.05710609e+02, 2.76162549e+02), forces1[192], tol);
ASSERT_EQUAL_VEC(Vec3( 1.23265853e+02, 8.57500919e+01, 3.46722858e+02), forces1[193], tol);
ASSERT_EQUAL_VEC(Vec3(-9.05651135e+01, 5.50685032e+01, -4.12462772e+02), forces1[194], tol);
ASSERT_EQUAL_VEC(Vec3(-2.70875191e+00, 1.30545633e+02, -1.55140021e+02), forces1[195], tol);
ASSERT_EQUAL_VEC(Vec3(-1.37389162e+02, -2.94304654e+02, -1.24611408e+02), forces1[196], tol);
ASSERT_EQUAL_VEC(Vec3(-3.56088703e+02, -9.03800091e+01, 3.14895993e+02), forces1[197], tol);
ASSERT_EQUAL_VEC(Vec3(-7.79280727e+01, 1.12179786e+02, 3.86364249e+02), forces1[198], tol);
ASSERT_EQUAL_VEC(Vec3( 2.43080372e+02, 5.36466609e+02, -9.47357535e+01), forces1[199], tol);
ASSERT_EQUAL_VEC(Vec3(-7.39441823e+01, -3.53188450e+02, 1.42886370e+01), forces1[200], tol);
ASSERT_EQUAL_VEC(Vec3( 6.56556933e+02, -2.80423857e+02, 2.95738831e+02), forces1[201], tol);
ASSERT_EQUAL_VEC(Vec3(-2.72306632e+02, -1.44066176e+02, 2.55684522e+02), forces1[202], tol);
ASSERT_EQUAL_VEC(Vec3(-3.75638941e+01, 2.99415967e+02, -4.12490294e+02), forces1[203], tol);
ASSERT_EQUAL_VEC(Vec3( 3.64685442e+02, 3.39117459e+02, -8.08643870e+01), forces1[204], tol);
ASSERT_EQUAL_VEC(Vec3( 4.32799610e+02, -1.78895030e+02, 3.86635331e+02), forces1[205], tol);
ASSERT_EQUAL_VEC(Vec3(-9.04462035e+01, 3.89960088e+02, -5.47950733e+02), forces1[206], tol);
ASSERT_EQUAL_VEC(Vec3(-6.35043448e+02, 1.85486756e+01, 3.17016236e+01), forces1[207], tol);
ASSERT_EQUAL_VEC(Vec3(-5.92896097e+01, -2.85274924e+02, -1.42348620e+02), forces1[208], tol);
ASSERT_EQUAL_VEC(Vec3(-1.35207298e+02, -3.56081009e+02, 1.07991189e+02), forces1[209], tol);
ASSERT_EQUAL_VEC(Vec3( 3.94900105e+02, 9.99453126e+01, -1.57827968e+02), forces1[210], tol);
ASSERT_EQUAL_VEC(Vec3(-1.56528334e+02, -1.66144237e+02, -4.78550980e+00), forces1[211], tol);
ASSERT_EQUAL_VEC(Vec3(-1.77280437e+02, -9.51924294e+01, -3.42048132e+02), forces1[212], tol);
ASSERT_EQUAL_VEC(Vec3( 2.97739381e+02, 7.18137153e+02, -4.94774385e+02), forces1[213], tol);
ASSERT_EQUAL_VEC(Vec3(-5.12807812e+02, 7.63618980e+02, -5.44479748e+01), forces1[214], tol);
ASSERT_EQUAL_VEC(Vec3(-2.55718099e+02, -4.46413837e+02, -1.72488334e+02), forces1[215], tol);
ASSERT_EQUAL_VEC(Vec3( 3.15155213e+02, 5.62372598e+02, 2.42573447e+02), forces1[216], tol);
ASSERT_EQUAL_VEC(Vec3(-2.90686044e+01, 3.91008419e+02, 1.36603112e+02), forces1[217], tol);
ASSERT_EQUAL_VEC(Vec3(-4.26382270e+02, 5.13937396e+02, 8.38021440e+01), forces1[218], tol);
ASSERT_EQUAL_VEC(Vec3(-2.88415254e+02, 6.41404241e+01, 3.02418529e+02), forces1[219], tol);
ASSERT_EQUAL_VEC(Vec3(-1.13264423e+01, -3.20432026e+02, 1.98735533e+02), forces1[220], tol);
ASSERT_EQUAL_VEC(Vec3(-1.73201040e+02, 2.09799717e+02, 2.60748570e+02), forces1[221], tol);
ASSERT_EQUAL_VEC(Vec3( 4.34181587e+02, -1.25026352e+02, 2.52906543e+02), forces1[222], tol);
ASSERT_EQUAL_VEC(Vec3(-3.09528945e+02, 2.63415228e+02, -2.33523213e+02), forces1[223], tol);
ASSERT_EQUAL_VEC(Vec3( 8.65524156e+01, -5.32178407e+02, -2.36443769e+02), forces1[224], tol);
ASSERT_EQUAL_VEC(Vec3(-1.74965243e+02, -2.30177295e+02, -1.33679144e+02), forces1[225], tol);
ASSERT_EQUAL_VEC(Vec3( 1.53826901e+02, -1.24391764e+02, -3.93679341e+01), forces1[226], tol);
ASSERT_EQUAL_VEC(Vec3(-4.51778358e+02, -7.75156480e+01, -5.36133859e+02), forces1[227], tol);
ASSERT_EQUAL_VEC(Vec3( 5.99205686e+01, 2.97292572e+02, 5.99156789e+01), forces1[228], tol);
ASSERT_EQUAL_VEC(Vec3(-3.10624444e+02, 2.94567470e+00, -3.63693136e+01), forces1[229], tol);
ASSERT_EQUAL_VEC(Vec3( 3.85876747e+02, 1.41639709e+02, 2.75108543e+02), forces1[230], tol);
ASSERT_EQUAL_VEC(Vec3( 5.43221531e+02, -3.20245253e+02, -3.02057882e+01), forces1[231], tol);
ASSERT_EQUAL_VEC(Vec3( 3.85583563e+02, 6.64091011e+01, -3.49559777e+01), forces1[232], tol);
ASSERT_EQUAL_VEC(Vec3(-4.52863518e+02, -3.40704717e+02, 1.28905508e+02), forces1[233], tol);
ASSERT_EQUAL_VEC(Vec3( 9.34276939e+02, -1.39482274e+02, 3.57869403e+02), forces1[234], tol);
ASSERT_EQUAL_VEC(Vec3(-2.03067148e+02, 7.44441061e+01, 9.27320006e+01), forces1[235], tol);
ASSERT_EQUAL_VEC(Vec3(-5.97531539e+02, 1.26804078e+02, 2.78893030e+02), forces1[236], tol);
ASSERT_EQUAL_VEC(Vec3( 5.67860193e+02, -5.34681659e+02, -1.84230283e+02), forces1[237], tol);
ASSERT_EQUAL_VEC(Vec3( 2.13190333e+02, 2.99783610e+02, -2.66458597e+02), forces1[238], tol);
ASSERT_EQUAL_VEC(Vec3( 3.11473403e+01, 4.54685224e+02, 3.81034869e+01), forces1[239], tol);
ASSERT_EQUAL_VEC(Vec3( 1.57514487e+02, 3.19318405e+01, -1.57720436e+02), forces1[240], tol);
ASSERT_EQUAL_VEC(Vec3( 4.34917141e+02, -4.69320639e+02, -3.96620193e+01), forces1[241], tol);
ASSERT_EQUAL_VEC(Vec3(-3.54127895e+01, -1.00145510e+02, 7.07653587e+01), forces1[242], tol);
ASSERT_EQUAL_VEC(Vec3( 3.29669760e+02, 3.63920894e+02, -3.89179023e+02), forces1[243], tol);
ASSERT_EQUAL_VEC(Vec3( 7.63985812e+02, 2.97343162e+02, -5.39992884e+01), forces1[244], tol);
ASSERT_EQUAL_VEC(Vec3(-2.67917290e+02, 2.23564800e+02, -1.67266290e+02), forces1[245], tol);
ASSERT_EQUAL_VEC(Vec3(-6.45289709e+02, -9.38444040e+00, -5.71116404e+02), forces1[246], tol);
ASSERT_EQUAL_VEC(Vec3( 1.48220582e+02, -1.78737448e+02, 8.43814640e+01), forces1[247], tol);
ASSERT_EQUAL_VEC(Vec3( 3.26731869e+02, -3.84524983e+02, 2.88339532e+02), forces1[248], tol);
ASSERT_EQUAL_VEC(Vec3( 2.58365914e+02, 5.43905231e+01, 3.38641536e+02), forces1[249], tol);
ASSERT_EQUAL_VEC(Vec3(-3.51600062e+02, -3.06740536e+02, -2.99454859e+01), forces1[250], tol);
ASSERT_EQUAL_VEC(Vec3(-2.78580097e+01, 2.36156123e+02, 1.06081152e+01), forces1[251], tol);
ASSERT_EQUAL_VEC(Vec3(-1.75899733e+02, -9.38608562e+00, 1.84207408e+02), forces1[252], tol);
ASSERT_EQUAL_VEC(Vec3(-5.60399133e+02, 1.90145998e+02, -2.90215623e+02), forces1[253], tol);
ASSERT_EQUAL_VEC(Vec3(-1.69434526e+02, 2.23702263e+02, -3.41994449e+02), forces1[254], tol);
ASSERT_EQUAL_VEC(Vec3(-6.96578236e+01, 1.66438449e+02, -6.77499321e+00), forces1[255], tol);
ASSERT_EQUAL_VEC(Vec3( 2.73655591e+02, 1.49071325e+00, 7.80565008e+01), forces1[256], tol);
ASSERT_EQUAL_VEC(Vec3(-2.58366132e+02, 8.46288614e+01, -9.42098129e+01), forces1[257], tol);
ASSERT_EQUAL_VEC(Vec3(-4.25847146e+02, 9.84292470e+00, 6.39709870e+01), forces1[258], tol);
ASSERT_EQUAL_VEC(Vec3( 1.12083087e+02, 6.10255158e+01, -1.38662830e+02), forces1[259], tol);
ASSERT_EQUAL_VEC(Vec3( 3.21828259e+01, 3.67493765e+02, 6.86972453e+01), forces1[260], tol);
ASSERT_EQUAL_VEC(Vec3(-3.72206379e+02, 3.36289489e+02, 3.15273168e+02), forces1[261], tol);
ASSERT_EQUAL_VEC(Vec3( 4.28443395e+01, 5.93339946e+01, 4.86905134e+02), forces1[262], tol);
ASSERT_EQUAL_VEC(Vec3( 3.03267567e+01, 3.70293845e+02, -5.83420472e+02), forces1[263], tol);
ASSERT_EQUAL_VEC(Vec3(-1.61738517e+02, 3.70576503e+02, -2.03659425e+01), forces1[264], tol);
ASSERT_EQUAL_VEC(Vec3(-6.67229637e+02, -1.24339105e+01, -9.41959187e+01), forces1[265], tol);
ASSERT_EQUAL_VEC(Vec3( 4.66955725e+02, 3.49515015e+02, 2.04652411e+02), forces1[266], tol);
ASSERT_EQUAL_VEC(Vec3(-3.52483062e+02, -1.24093769e+01, 2.24828418e+01), forces1[267], tol);
ASSERT_EQUAL_VEC(Vec3( 4.58746968e+01, -2.20898924e+02, 7.64552584e+01), forces1[268], tol);
ASSERT_EQUAL_VEC(Vec3(-4.43630058e+01, -1.14899930e+02, -2.87900025e+02), forces1[269], tol);
ASSERT_EQUAL_VEC(Vec3(-9.22312443e+01, 6.40883419e+02, 3.17836134e+02), forces1[270], tol);
ASSERT_EQUAL_VEC(Vec3(-2.15623653e+02, -2.05460783e+02, 6.85627383e+01), forces1[271], tol);
ASSERT_EQUAL_VEC(Vec3( 2.24218604e+02, -1.43080040e+02, -4.17826551e+01), forces1[272], tol);
ASSERT_EQUAL_VEC(Vec3( 1.79823435e+02, -3.72425962e+02, 2.12155872e+02), forces1[273], tol);
ASSERT_EQUAL_VEC(Vec3( 9.74694224e+01, 7.66864835e+01, -5.04542197e+02), forces1[274], tol);
ASSERT_EQUAL_VEC(Vec3( 2.18132641e+01, -5.76171362e+02, -3.23926383e+02), forces1[275], tol);
ASSERT_EQUAL_VEC(Vec3(-2.97073240e+02, -1.47150317e+02, -1.56565197e+02), forces1[276], tol);
ASSERT_EQUAL_VEC(Vec3( 4.21710637e+01, -2.91447830e+02, -1.50257335e+02), forces1[277], tol);
ASSERT_EQUAL_VEC(Vec3( 1.75442608e+02, -9.12859677e+01, 6.45491342e+01), forces1[278], tol);
ASSERT_EQUAL_VEC(Vec3( 1.50392869e+02, -1.42464974e+02, 2.67956841e+02), forces1[279], tol);
ASSERT_EQUAL_VEC(Vec3(-4.86651400e+02, -2.18667898e+01, 1.45713495e+02), forces1[280], tol);
ASSERT_EQUAL_VEC(Vec3( 9.28412896e+01, -6.94874667e+01, -8.89080435e+00), forces1[281], tol);
ASSERT_EQUAL_VEC(Vec3(-5.85240520e+01, 2.84901112e+02, 4.82507287e+02), forces1[282], tol);
ASSERT_EQUAL_VEC(Vec3(-2.83558886e+01, -1.73735212e+02, -3.77887550e+02), forces1[283], tol);
ASSERT_EQUAL_VEC(Vec3(-4.34949543e+02, -1.30350821e+02, -3.31882572e+02), forces1[284], tol);
ASSERT_EQUAL_VEC(Vec3( 3.85307564e+01, -2.54990214e+02, -5.18576435e+02), forces1[285], tol);
ASSERT_EQUAL_VEC(Vec3(-7.78941445e+01, 1.25379603e+02, -3.80663737e+02), forces1[286], tol);
ASSERT_EQUAL_VEC(Vec3(-1.27210929e+02, 3.88670263e+02, 9.40643492e+01), forces1[287], tol);
ASSERT_EQUAL_VEC(Vec3( 1.39431191e+02, 4.03532370e+02, -4.33316557e+02), forces1[288], tol);
ASSERT_EQUAL_VEC(Vec3(-2.89025871e+00, -2.06301323e+02, -7.48588265e+02), forces1[289], tol);
ASSERT_EQUAL_VEC(Vec3( 1.07859207e+01, 2.35870879e+02, -1.38371079e+02), forces1[290], tol);
ASSERT_EQUAL_VEC(Vec3( 8.60427044e+01, 5.74941322e+02, 1.95760444e+02), forces1[291], tol);
ASSERT_EQUAL_VEC(Vec3(-2.45607229e+02, 1.95528757e+02, 1.22011573e+02), forces1[292], tol);
ASSERT_EQUAL_VEC(Vec3(-3.33845399e+02, -2.71367745e+02, -3.43358433e+02), forces1[293], tol);
ASSERT_EQUAL_VEC(Vec3(-4.28617139e+02, 1.60904342e+02, 2.18072650e+02), forces1[294], tol);
ASSERT_EQUAL_VEC(Vec3(-5.40064874e+02, -1.47448303e+02, 4.35229212e+02), forces1[295], tol);
ASSERT_EQUAL_VEC(Vec3( 1.48815476e+02, 3.45639218e+01, -1.25812382e+02), forces1[296], tol);
ASSERT_EQUAL_VEC(Vec3( 3.39107837e+02, 3.68504225e+01, 2.99572367e+01), forces1[297], tol);
ASSERT_EQUAL_VEC(Vec3(-1.67736264e+02, -2.84608426e+02, 3.88526274e+01), forces1[298], tol);
ASSERT_EQUAL_VEC(Vec3(-3.21480824e+02, -4.49315290e+02, 1.41881616e+02), forces1[299], tol);
ASSERT_EQUAL_VEC(Vec3( 1.16232320e+02, 6.79621131e+00, -1.08227149e+02), forces1[300], tol);
ASSERT_EQUAL_VEC(Vec3(-1.85570778e+02, -2.95260833e+02, 5.01922551e+02), forces1[301], tol);
ASSERT_EQUAL_VEC(Vec3( 9.27568700e+01, -3.83929681e+02, -2.77944844e+02), forces1[302], tol);
ASSERT_EQUAL_VEC(Vec3(-3.97618765e+01, 2.84553517e+02, 2.33447892e+02), forces1[303], tol);
ASSERT_EQUAL_VEC(Vec3( 1.40428160e+00, 2.25397804e+02, 9.47967922e+01), forces1[304], tol);
ASSERT_EQUAL_VEC(Vec3( 1.06100768e+02, 2.06346469e+02, -2.00231208e+02), forces1[305], tol);
ASSERT_EQUAL_VEC(Vec3(-3.33973365e+02, -3.09218137e+01, -9.23886091e+01), forces1[306], tol);
ASSERT_EQUAL_VEC(Vec3( 1.47272865e+01, 1.47732830e+02, 2.61213219e+02), forces1[307], tol);
ASSERT_EQUAL_VEC(Vec3( 4.44151506e+01, 1.15101400e+02, 1.21319924e+02), forces1[308], tol);
ASSERT_EQUAL_VEC(Vec3(-2.53470761e+02, 2.00350042e+02, 3.38960006e+01), forces1[309], tol);
ASSERT_EQUAL_VEC(Vec3( 1.06594777e+02, -1.16077611e+02, 5.96359334e+01), forces1[310], tol);
ASSERT_EQUAL_VEC(Vec3(-2.01610478e+02, 4.15967754e+01, 4.19293914e+02), forces1[311], tol);
ASSERT_EQUAL_VEC(Vec3( 4.40516207e+02, 1.34417352e+02, 7.74205210e+01), forces1[312], tol);
ASSERT_EQUAL_VEC(Vec3(-3.89160154e+02, -2.83344572e+02, -4.23546685e+02), forces1[313], tol);
ASSERT_EQUAL_VEC(Vec3( 2.42068089e+02, -6.45978033e+02, 3.91506210e+02), forces1[314], tol);
ASSERT_EQUAL_VEC(Vec3(-3.71531404e+02, -4.54039493e+01, 5.02846871e+02), forces1[315], tol);
ASSERT_EQUAL_VEC(Vec3(-3.52589600e+02, 8.61061306e+01, 2.63798519e+02), forces1[316], tol);
ASSERT_EQUAL_VEC(Vec3( 2.18337261e+01, -1.24898517e+02, -2.32012734e+02), forces1[317], tol);
ASSERT_EQUAL_VEC(Vec3(-4.28763733e+02, 2.69298277e+02, -1.63307373e+02), forces1[318], tol);
ASSERT_EQUAL_VEC(Vec3( 6.90348283e+01, 2.01119799e+02, -1.25394407e+02), forces1[319], tol);
ASSERT_EQUAL_VEC(Vec3( 4.42904652e+01, -1.48495330e+02, 9.26084336e+01), forces1[320], tol);
ASSERT_EQUAL_VEC(Vec3(-3.52950825e+01, 1.28676758e+02, -3.63357597e+02), forces1[321], tol);
ASSERT_EQUAL_VEC(Vec3(-5.24105679e+02, -9.42729828e+01, 1.18442536e+01), forces1[322], tol);
ASSERT_EQUAL_VEC(Vec3( 2.26120919e+02, 3.21635617e+02, -3.90518982e+02), forces1[323], tol);
ASSERT_EQUAL_VEC(Vec3( 3.59312804e+01, -3.07405817e+02, -5.38361197e+01), forces1[324], tol);
ASSERT_EQUAL_VEC(Vec3(-1.17174424e+02, 2.29573805e+02, 1.57259382e+02), forces1[325], tol);
ASSERT_EQUAL_VEC(Vec3(-9.86427642e+01, -2.13494062e+02, 9.34926885e+01), forces1[326], tol);
ASSERT_EQUAL_VEC(Vec3( 2.32229566e+02, 6.06664996e+01, -3.57479293e+02), forces1[327], tol);
ASSERT_EQUAL_VEC(Vec3(-4.16211931e+01, 1.12554898e+02, -2.00660318e+02), forces1[328], tol);
ASSERT_EQUAL_VEC(Vec3(-5.14819799e+01, 2.96285849e+02, 3.68505357e+02), forces1[329], tol);
ASSERT_EQUAL_VEC(Vec3( 1.02082491e+02, -9.70741301e+01, 3.02493232e+01), forces1[330], tol);
ASSERT_EQUAL_VEC(Vec3(-1.03774260e+02, -1.54760894e+02, 2.10251674e+02), forces1[331], tol);
ASSERT_EQUAL_VEC(Vec3( 1.90529911e+02, 6.04211367e+01, -9.59263387e+01), forces1[332], tol);
ASSERT_EQUAL_VEC(Vec3(-1.16797386e+02, -5.22831328e+02, 5.66578589e+02), forces1[333], tol);
ASSERT_EQUAL_VEC(Vec3( 2.18104094e+02, -1.37421044e+02, 1.53038417e+02), forces1[334], tol);
ASSERT_EQUAL_VEC(Vec3(-9.04351491e+01, -1.47606538e+02, 8.89490712e+01), forces1[335], tol);
ASSERT_EQUAL_VEC(Vec3( 2.09976599e+01, -2.05500194e+02, 1.26830512e+02), forces1[336], tol);
ASSERT_EQUAL_VEC(Vec3(-1.68042754e+02, -2.97763125e+02, -1.20743571e+02), forces1[337], tol);
ASSERT_EQUAL_VEC(Vec3( 3.99127236e+02, 2.95151794e+02, 3.91132406e+02), forces1[338], tol);
ASSERT_EQUAL_VEC(Vec3( 6.84892471e+02, -2.36108313e+02, 3.42251555e+02), forces1[339], tol);
ASSERT_EQUAL_VEC(Vec3(-1.26672745e+02, 1.75724905e+02, 1.84788262e+02), forces1[340], tol);
ASSERT_EQUAL_VEC(Vec3(-1.32600337e+01, 4.13643381e+01, -7.23942729e+01), forces1[341], tol);
ASSERT_EQUAL_VEC(Vec3(-2.77915476e+02, 3.10253507e+02, 1.84685854e+01), forces1[342], tol);
ASSERT_EQUAL_VEC(Vec3( 1.17778181e+02, 2.88287609e+02, 2.83205737e+02), forces1[343], tol);
ASSERT_EQUAL_VEC(Vec3(-2.14268136e+01, 5.21209080e+02, 1.00248187e+02), forces1[344], tol);
ASSERT_EQUAL_VEC(Vec3( 1.24343155e+02, -1.12330818e+02, 2.11958643e+02), forces1[345], tol);
ASSERT_EQUAL_VEC(Vec3( 6.50667567e+00, 2.20334635e+02, -3.03866910e+02), forces1[346], tol);
ASSERT_EQUAL_VEC(Vec3( 3.27052657e+02, 1.14360733e+02, 4.53348042e+02), forces1[347], tol);
ASSERT_EQUAL_VEC(Vec3( 3.89440847e+01, 3.55283477e+02, 2.25739503e+01), forces1[348], tol);
ASSERT_EQUAL_VEC(Vec3(-2.25235013e+02, -2.30566443e+02, -2.32657384e+02), forces1[349], tol);
ASSERT_EQUAL_VEC(Vec3(-4.40565237e+02, -4.18860845e+01, -8.73230334e+01), forces1[350], tol);
ASSERT_EQUAL_VEC(Vec3( 2.03282144e+02, -7.41935514e+01, -3.11210179e+02), forces1[351], tol);
ASSERT_EQUAL_VEC(Vec3( 3.14039162e+02, -4.52223142e+01, 1.15692941e+02), forces1[352], tol);
ASSERT_EQUAL_VEC(Vec3(-3.05758853e+02, -8.44053388e+01, 2.77050868e+02), forces1[353], tol);
ASSERT_EQUAL_VEC(Vec3( 6.03148128e+02, 7.49868064e+01, 1.08098034e+02), forces1[354], tol);
ASSERT_EQUAL_VEC(Vec3( 1.19374260e+02, 3.21999447e+02, 1.19594257e+01), forces1[355], tol);
ASSERT_EQUAL_VEC(Vec3( 1.06938874e+02, 2.87582961e+01, 2.37371892e+02), forces1[356], tol);
ASSERT_EQUAL_VEC(Vec3( 3.21431483e+02, -7.92928539e+02, 4.18517370e+01), forces1[357], tol);
ASSERT_EQUAL_VEC(Vec3(-1.08651668e+02, 2.36736551e+02, -5.75424218e+02), forces1[358], tol);
ASSERT_EQUAL_VEC(Vec3(-1.53739502e+02, -4.66583392e+02, 3.71587906e+02), forces1[359], tol);
ASSERT_EQUAL_VEC(Vec3(-1.56290228e+02, -8.97065131e+01, -3.26308160e+02), forces1[360], tol);
ASSERT_EQUAL_VEC(Vec3( 3.42780206e+02, -3.18082387e+01, -4.08917799e+02), forces1[361], tol);
ASSERT_EQUAL_VEC(Vec3( 1.47584556e+02, 4.76918724e+02, 4.19802714e+01), forces1[362], tol);
ASSERT_EQUAL_VEC(Vec3( 6.13790369e-01, -4.13596811e+01, 4.39898790e+02), forces1[363], tol);
ASSERT_EQUAL_VEC(Vec3(-2.56833301e+02, -1.83037454e+02, 5.99913896e+01), forces1[364], tol);
ASSERT_EQUAL_VEC(Vec3( 2.48242646e+02, 5.50143719e+01, -1.55138787e+01), forces1[365], tol);
ASSERT_EQUAL_VEC(Vec3(-1.93628316e+02, -1.86534319e+01, 6.08100347e-01), forces1[366], tol);
ASSERT_EQUAL_VEC(Vec3(-1.63211080e+02, 1.90023269e+02, -4.93452441e+02), forces1[367], tol);
ASSERT_EQUAL_VEC(Vec3(-2.85383893e+01, -4.66032637e+02, -2.10849424e+02), forces1[368], tol);
ASSERT_EQUAL_VEC(Vec3( 2.27151522e+02, 1.52613464e+01, -1.64052797e+02), forces1[369], tol);
ASSERT_EQUAL_VEC(Vec3(-1.07153893e+02, 2.01257828e+01, 6.04845684e+01), forces1[370], tol);
ASSERT_EQUAL_VEC(Vec3( 2.41332167e+02, 4.05683718e+02, -8.71412268e+01), forces1[371], tol);
ASSERT_EQUAL_VEC(Vec3( 1.33799918e+02, 1.72174836e+02, -1.15342391e+02), forces1[372], tol);
ASSERT_EQUAL_VEC(Vec3( 4.19296496e+02, -4.68248373e+02, -3.30514440e+02), forces1[373], tol);
ASSERT_EQUAL_VEC(Vec3(-1.88005342e+02, -2.43525310e+02, 8.87016270e+01), forces1[374], tol);
ASSERT_EQUAL_VEC(Vec3( 1.54021861e+02, 2.52343848e+02, 1.76403306e+02), forces1[375], tol);
ASSERT_EQUAL_VEC(Vec3(-1.10645837e+02, 3.33150389e+01, 1.23771287e+02), forces1[376], tol);
ASSERT_EQUAL_VEC(Vec3( 1.64776571e+02, 8.96065400e-01, 1.56210970e+02), forces1[377], tol);
ASSERT_EQUAL_VEC(Vec3(-1.65400014e+02, -1.50236349e+02, 2.41793992e+02), forces1[378], tol);
ASSERT_EQUAL_VEC(Vec3( 4.78064936e+02, -2.36432797e+02, 4.04933329e+02), forces1[379], tol);
ASSERT_EQUAL_VEC(Vec3(-2.33366235e+02, -7.47065850e+02, 1.09704004e+02), forces1[380], tol);
ASSERT_EQUAL_VEC(Vec3( 1.09391089e+02, -3.37517532e+02, 1.99876556e+02), forces1[381], tol);
ASSERT_EQUAL_VEC(Vec3( 1.45367287e+02, 1.34686504e+02, 3.46411849e+02), forces1[382], tol);
ASSERT_EQUAL_VEC(Vec3(-8.86938780e+01, 1.70740693e+02, 1.86633045e+02), forces1[383], tol);
ASSERT_EQUAL_VEC(Vec3( 1.03267086e+02, -2.54994757e+02, -2.04500741e+01), forces1[384], tol);
ASSERT_EQUAL_VEC(Vec3(-5.06124981e+02, -3.72066492e+02, 9.10787327e+01), forces1[385], tol);
ASSERT_EQUAL_VEC(Vec3( 4.33830100e+02, 5.30903070e+02, 1.18187318e+02), forces1[386], tol);
ASSERT_EQUAL_VEC(Vec3(-3.34819970e+02, 2.29884568e+02, 1.73578789e+02), forces1[387], tol);
ASSERT_EQUAL_VEC(Vec3(-3.26221462e+00, 3.50944116e+02, -5.69053250e+00), forces1[388], tol);
ASSERT_EQUAL_VEC(Vec3(-3.18235913e+02, -4.16037121e+02, 3.93503581e+00), forces1[389], tol);
ASSERT_EQUAL_VEC(Vec3(-9.01641240e+01, -2.83129838e+02, -1.78590049e+02), forces1[390], tol);
ASSERT_EQUAL_VEC(Vec3(-1.86933795e+02, 2.96536275e+02, -1.29641779e+02), forces1[391], tol);
ASSERT_EQUAL_VEC(Vec3(-7.78116915e+02, 3.37770325e+02, 2.46251396e+02), forces1[392], tol);
ASSERT_EQUAL_VEC(Vec3(-4.88284661e+02, -3.62815567e+02, 1.09199755e+02), forces1[393], tol);
ASSERT_EQUAL_VEC(Vec3( 1.68815587e+02, -1.54091010e+02, 2.44129524e+02), forces1[394], tol);
ASSERT_EQUAL_VEC(Vec3( 8.59930047e+01, -4.73421243e+02, 1.81326697e+02), forces1[395], tol);
ASSERT_EQUAL_VEC(Vec3(-5.15421845e+01, 3.80615163e+01, 1.48495241e+02), forces1[396], tol);
ASSERT_EQUAL_VEC(Vec3( 4.40902491e+02, -9.36772951e+01, 2.19937945e+02), forces1[397], tol);
ASSERT_EQUAL_VEC(Vec3( 4.55969069e+01, 5.74615780e+02, -5.74937832e+01), forces1[398], tol);
ASSERT_EQUAL_VEC(Vec3( 1.07815006e+02, -3.19754972e+02, 1.16024132e+01), forces1[399], tol);
ASSERT_EQUAL_VEC(Vec3(-1.73815462e+02, -1.72653517e+02, 3.26124498e+02), forces1[400], tol);
ASSERT_EQUAL_VEC(Vec3(-4.48598839e+02, -4.95402699e+02, -1.37769354e+02), forces1[401], tol);
ASSERT_EQUAL_VEC(Vec3( 1.43484140e+02, -7.71666828e+01, 1.27161815e+02), forces1[402], tol);
ASSERT_EQUAL_VEC(Vec3( 1.26016451e+02, -3.81399993e+02, -2.85764454e+02), forces1[403], tol);
ASSERT_EQUAL_VEC(Vec3(-2.53052241e+02, -2.67885549e+02, 1.51849847e+02), forces1[404], tol);
ASSERT_EQUAL_VEC(Vec3(-1.01063516e+02, -1.79837645e+02, -2.05759531e+02), forces1[405], tol);
ASSERT_EQUAL_VEC(Vec3( 1.32065714e+02, -2.56988983e+02, -4.06119988e+02), forces1[406], tol);
ASSERT_EQUAL_VEC(Vec3( 5.49845413e+01, 5.21020888e+01, -2.40829321e+01), forces1[407], tol);
ASSERT_EQUAL_VEC(Vec3(-3.04151550e+01, -3.45385052e+02, 3.52732396e+02), forces1[408], tol);
ASSERT_EQUAL_VEC(Vec3( 5.76196622e+02, 2.51408790e+02, -2.05694905e+02), forces1[409], tol);
ASSERT_EQUAL_VEC(Vec3(-5.46232631e+02, -3.81426810e+01, 1.55940692e+02), forces1[410], tol);
ASSERT_EQUAL_VEC(Vec3(-1.00759671e+02, 2.13338964e+02, 3.33068075e+02), forces1[411], tol);
ASSERT_EQUAL_VEC(Vec3( 8.00270910e+01, 1.85305844e+02, -4.43363841e+02), forces1[412], tol);
ASSERT_EQUAL_VEC(Vec3(-1.53961901e+02, 1.76452569e+01, 5.07044493e+01), forces1[413], tol);
ASSERT_EQUAL_VEC(Vec3(-2.54074128e+01, -1.01739609e+02, -1.47118371e+02), forces1[414], tol);
ASSERT_EQUAL_VEC(Vec3(-2.53018564e+02, 2.89709169e+02, -1.78282141e+02), forces1[415], tol);
ASSERT_EQUAL_VEC(Vec3(-1.30257510e+02, -4.66610129e+02, -3.53374887e+02), forces1[416], tol);
ASSERT_EQUAL_VEC(Vec3( 1.82472116e+02, 3.77974857e+02, 1.90476251e+02), forces1[417], tol);
ASSERT_EQUAL_VEC(Vec3(-2.59801797e+02, 3.29708022e+02, 3.93439213e+02), forces1[418], tol);
ASSERT_EQUAL_VEC(Vec3(-1.08573872e+01, -5.30931700e+02, -1.53102646e+01), forces1[419], tol);
ASSERT_EQUAL_VEC(Vec3(-3.27827015e+01, -3.45915139e+02, -1.45604367e+02), forces1[420], tol);
ASSERT_EQUAL_VEC(Vec3(-1.92424159e+02, 3.69087390e+00, -1.26537763e+02), forces1[421], tol);
ASSERT_EQUAL_VEC(Vec3( 2.61430852e+02, -1.63239575e+02, -1.22742408e+02), forces1[422], tol);
ASSERT_EQUAL_VEC(Vec3(-1.42902423e+02, 4.15429338e+02, 5.04220960e+02), forces1[423], tol);
ASSERT_EQUAL_VEC(Vec3( 3.36581855e+02, -1.06051528e+02, 4.54169047e+02), forces1[424], tol);
ASSERT_EQUAL_VEC(Vec3(-2.32221397e+02, -1.86391490e+00, 4.48412526e+01), forces1[425], tol);
ASSERT_EQUAL_VEC(Vec3( 4.12435657e+02, -5.04677016e+02, 4.00894902e+02), forces1[426], tol);
ASSERT_EQUAL_VEC(Vec3(-1.54630518e+02, -2.68571764e+02, -1.52962938e+01), forces1[427], tol);
ASSERT_EQUAL_VEC(Vec3( 2.69725750e+02, 2.18570974e+02, -1.75370463e+02), forces1[428], tol);
ASSERT_EQUAL_VEC(Vec3(-1.77174496e+01, -4.66383654e+01, 6.24325771e+01), forces1[429], tol);
ASSERT_EQUAL_VEC(Vec3(-1.29891497e+02, 8.07513513e+01, 1.84796034e+01), forces1[430], tol);
ASSERT_EQUAL_VEC(Vec3( 1.76173623e+02, -3.20023221e+02, -2.47794470e+02), forces1[431], tol);
ASSERT_EQUAL_VEC(Vec3(-1.68165877e+02, 2.05742253e+02, -1.17371622e+02), forces1[432], tol);
ASSERT_EQUAL_VEC(Vec3(-1.93368937e+02, 7.77030375e+01, -1.60942447e+02), forces1[433], tol);
ASSERT_EQUAL_VEC(Vec3(-8.97795426e+01, 2.56568674e+02, -3.94711205e+02), forces1[434], tol);
ASSERT_EQUAL_VEC(Vec3(-2.33025806e+02, 9.53111817e+01, 3.02984350e+02), forces1[435], tol);
ASSERT_EQUAL_VEC(Vec3( 4.34416040e+01, -4.44341362e+02, -4.99903855e+00), forces1[436], tol);
ASSERT_EQUAL_VEC(Vec3( 3.32041110e+02, -4.10874874e+02, -6.13697373e+01), forces1[437], tol);
ASSERT_EQUAL_VEC(Vec3(-1.45971034e+02, -2.28311940e+02, -2.99006034e+02), forces1[438], tol);
ASSERT_EQUAL_VEC(Vec3(-1.38544644e+02, -1.27394726e+02, -2.93844502e+02), forces1[439], tol);
ASSERT_EQUAL_VEC(Vec3( 2.97433737e+02, 3.38274025e+02, -2.14834485e+02), forces1[440], tol);
ASSERT_EQUAL_VEC(Vec3( 2.49325388e+01, 1.88464224e+02, -8.02957242e+01), forces1[441], tol);
ASSERT_EQUAL_VEC(Vec3(-1.32436289e+02, -3.86539713e+02, -6.69802109e+01), forces1[442], tol);
ASSERT_EQUAL_VEC(Vec3( 1.84591010e+01, 2.24796153e+02, -1.36943849e+02), forces1[443], tol);
ASSERT_EQUAL_VEC(Vec3( 2.15317088e+02, 1.06092575e+02, -1.25718903e+02), forces1[444], tol);
ASSERT_EQUAL_VEC(Vec3( 3.07793097e+02, 4.34340797e+02, 2.17184869e+01), forces1[445], tol);
ASSERT_EQUAL_VEC(Vec3( 8.06779109e+00, 4.99925960e+01, -3.14233384e+02), forces1[446], tol);
ASSERT_EQUAL_VEC(Vec3( 1.36943103e+03, 6.44803649e+02, -3.85109067e+02), forces1[447], tol);
ASSERT_EQUAL_VEC(Vec3( 3.32242272e+02, -1.04208324e+02, -4.08589589e+02), forces1[448], tol);
ASSERT_EQUAL_VEC(Vec3( 3.73255876e+02, 2.70951542e+02, 3.80697548e+02), forces1[449], tol);
ASSERT_EQUAL_VEC(Vec3(-2.09798900e+02, 4.29900198e+02, 8.40839028e+02), forces1[450], tol);
ASSERT_EQUAL_VEC(Vec3(-3.48538763e+02, -3.63130308e+02, 5.10379446e+02), forces1[451], tol);
ASSERT_EQUAL_VEC(Vec3(-3.28341714e+00, 4.69698489e-01, -6.05231376e+00), forces1[452], tol);
ASSERT_EQUAL_VEC(Vec3( 3.83253792e+01, 3.59830676e+02, 8.67060383e+02), forces1[453], tol);
ASSERT_EQUAL_VEC(Vec3(-1.57391804e+02, 5.68715567e+02, -1.87718510e+02), forces1[454], tol);
ASSERT_EQUAL_VEC(Vec3( 4.16155580e+02, 5.83079478e+01, -5.75730469e+02), forces1[455], tol);
ASSERT_EQUAL_VEC(Vec3( 2.58779906e+02, -1.00655656e+02, -4.43420159e+02), forces1[456], tol);
ASSERT_EQUAL_VEC(Vec3( 1.38953668e+02, 4.93490759e+02, 9.06786307e+02), forces1[457], tol);
ASSERT_EQUAL_VEC(Vec3(-4.81272447e+01, 9.53310029e+02, -1.83936453e+02), forces1[458], tol);
ASSERT_EQUAL_VEC(Vec3( 6.64523579e+02, -3.77321549e+02, 1.93098326e+02), forces1[459], tol);
ASSERT_EQUAL_VEC(Vec3( 8.34547360e+01, 1.77795489e+02, 4.70670853e+02), forces1[460], tol);
ASSERT_EQUAL_VEC(Vec3( 9.98948440e+02, -3.98575936e+02, 9.83617396e+02), forces1[461], tol);
ASSERT_EQUAL_VEC(Vec3(-5.06587875e+02, -4.10766357e+01, 4.75189712e+02), forces1[462], tol);
ASSERT_EQUAL_VEC(Vec3(-7.58615745e+01, 1.45234354e+02, 4.52909546e+01), forces1[463], tol);
ASSERT_EQUAL_VEC(Vec3(-1.13502225e+02, 5.29861493e+02, -3.00954235e+02), forces1[464], tol);
ASSERT_EQUAL_VEC(Vec3(-1.46461752e+02, -3.86629519e+02, -6.42383694e+02), forces1[465], tol);
ASSERT_EQUAL_VEC(Vec3(-2.70141632e+02, 3.67195269e+02, -1.78826923e+02), forces1[466], tol);
ASSERT_EQUAL_VEC(Vec3(-1.23815721e+02, -1.77323218e+02, 2.37363709e+02), forces1[467], tol);
ASSERT_EQUAL_VEC(Vec3(-4.94036325e+02, 1.34870851e+02, 6.98764302e+02), forces1[468], tol);
ASSERT_EQUAL_VEC(Vec3( 7.08752797e+02, 1.85258249e+02, 5.51159246e+02), forces1[469], tol);
ASSERT_EQUAL_VEC(Vec3( 2.01291495e+02, -5.84720738e+02, 5.82921267e+02), forces1[470], tol);
ASSERT_EQUAL_VEC(Vec3( 5.29650511e+02, 4.07054187e+01, 9.99156291e+01), forces1[471], tol);
ASSERT_EQUAL_VEC(Vec3(-1.19707215e+02, 4.42978965e+02, -2.70437350e+02), forces1[472], tol);
ASSERT_EQUAL_VEC(Vec3(-6.87780787e+02, -1.32227443e+02, -7.35818874e+01), forces1[473], tol);
ASSERT_EQUAL_VEC(Vec3(-2.99625888e+02, 8.14649386e+02, 2.72145234e+01), forces1[474], tol);
ASSERT_EQUAL_VEC(Vec3(-2.26042622e+02, -3.49838280e+02, -2.73671757e+02), forces1[475], tol);
ASSERT_EQUAL_VEC(Vec3(-3.38859328e+02, 8.74208207e+02, 2.98575880e+02), forces1[476], tol);
ASSERT_EQUAL_VEC(Vec3( 5.63054826e+02, 1.51181551e+02, -1.10341988e+02), forces1[477], tol);
ASSERT_EQUAL_VEC(Vec3( 3.44122544e+02, 2.73292900e+02, 5.44577027e+02), forces1[478], tol);
ASSERT_EQUAL_VEC(Vec3( 3.29121922e+01, 3.66764263e+02, 3.30304492e+02), forces1[479], tol);
ASSERT_EQUAL_VEC(Vec3(-4.98111364e+01, -3.26335514e+02, -6.47508532e+02), forces1[480], tol);
ASSERT_EQUAL_VEC(Vec3( 6.05970391e+01, -1.41039500e+02, 4.05545963e+02), forces1[481], tol);
ASSERT_EQUAL_VEC(Vec3(-1.35191146e+03, 5.06763950e+01, -1.40076012e+02), forces1[482], tol);
ASSERT_EQUAL_VEC(Vec3( 7.70144671e+01, -2.68985491e+02, -1.75067707e+02), forces1[483], tol);
ASSERT_EQUAL_VEC(Vec3(-1.89547256e+02, -2.32975097e+02, -2.54877338e+02), forces1[484], tol);
ASSERT_EQUAL_VEC(Vec3( 2.37141279e+02, 6.49194662e+02, 1.01757997e+02), forces1[485], tol);
ASSERT_EQUAL_VEC(Vec3(-3.38583468e+02, 1.34692366e+02, 7.89810999e+02), forces1[486], tol);
ASSERT_EQUAL_VEC(Vec3(-5.59974436e+02, -1.46817839e+02, 3.62598852e+01), forces1[487], tol);
ASSERT_EQUAL_VEC(Vec3(-3.52715734e+02, 1.16573021e+02, -4.55490471e+02), forces1[488], tol);
ASSERT_EQUAL_VEC(Vec3( 6.56757625e+01, 1.02550774e+02, -9.81490452e+01), forces1[489], tol);
ASSERT_EQUAL_VEC(Vec3(-4.22997875e+02, 8.89168040e+02, -9.19714230e+01), forces1[490], tol);
ASSERT_EQUAL_VEC(Vec3( 5.13351576e+02, 4.56111157e+02, -6.86014949e+01), forces1[491], tol);
ASSERT_EQUAL_VEC(Vec3( 1.12137269e+02, 6.84704993e+02, 4.44636019e+01), forces1[492], tol);
ASSERT_EQUAL_VEC(Vec3( 2.15980740e+02, 3.33093803e+02, -4.41281918e+02), forces1[493], tol);
ASSERT_EQUAL_VEC(Vec3(-4.77801486e-01, -2.16935238e+02, -5.39082462e+02), forces1[494], tol);
ASSERT_EQUAL_VEC(Vec3(-3.91584043e+02, 2.80049288e+02, 4.50318805e+02), forces1[495], tol);
ASSERT_EQUAL_VEC(Vec3( 2.40458755e+02, -1.24624268e+02, -2.70106867e+02), forces1[496], tol);
ASSERT_EQUAL_VEC(Vec3( 7.23763468e+01, 1.59346249e+01, -5.23998896e+01), forces1[497], tol);
ASSERT_EQUAL_VEC(Vec3(-1.41166795e+02, -3.23959396e+02, -4.05099054e+02), forces1[498], tol);
ASSERT_EQUAL_VEC(Vec3( 3.93723518e+02, 3.77829620e+02, -4.56301133e+02), forces1[499], tol);
ASSERT_EQUAL_VEC(Vec3(-2.68009341e+02, -2.12736933e+02, -7.96445111e+02), forces1[500], tol);
ASSERT_EQUAL_VEC(Vec3( 9.59480600e+02, 1.74115813e+02, 1.16126031e+01), forces1[501], tol);
ASSERT_EQUAL_VEC(Vec3(-3.93575465e+01, 1.29079012e+01, -1.89350441e+02), forces1[502], tol);
ASSERT_EQUAL_VEC(Vec3( 2.49464458e+02, 7.84144311e+01, -4.78252942e+02), forces1[503], tol);
ASSERT_EQUAL_VEC(Vec3( 5.16031453e+02, 6.52899912e+02, -5.05259519e+02), forces1[504], tol);
ASSERT_EQUAL_VEC(Vec3( 5.10845388e+01, -5.19606468e+02, 6.82761515e+00), forces1[505], tol);
ASSERT_EQUAL_VEC(Vec3(-7.68910836e+01, -1.13215494e+03, -7.05213833e+02), forces1[506], tol);
ASSERT_EQUAL_VEC(Vec3(-2.13058157e+02, 1.70549578e+00, 8.26365735e+02), forces1[507], tol);
ASSERT_EQUAL_VEC(Vec3( 1.86647493e+01, 1.91383875e+02, 4.18426660e+02), forces1[508], tol);
ASSERT_EQUAL_VEC(Vec3( 2.35361629e+02, 3.79668975e+02, -3.13824585e+02), forces1[509], tol);
ASSERT_EQUAL_VEC(Vec3(-1.26205360e+02, -2.59705171e+02, -6.76333230e+02), forces1[510], tol);
ASSERT_EQUAL_VEC(Vec3(-1.38240856e+02, -3.38607085e+02, 2.20460843e+02), forces1[511], tol);
ASSERT_EQUAL_VEC(Vec3(-2.25429800e+02, -7.80817051e+02, -2.43643666e+02), forces1[512], tol);
ASSERT_EQUAL_VEC(Vec3(-3.10585529e+01, 4.16080403e+01, 6.15476974e+01), forces1[513], tol);
ASSERT_EQUAL_VEC(Vec3( 6.75639613e+01, 9.67778416e+01, 6.03424295e+02), forces1[514], tol);
ASSERT_EQUAL_VEC(Vec3(-1.27080812e+02, -4.74945218e+01, 4.67735437e+02), forces1[515], tol);
ASSERT_EQUAL_VEC(Vec3(-2.72716149e+02, 3.30769806e+01, -2.81976538e+02), forces1[516], tol);
ASSERT_EQUAL_VEC(Vec3( 4.78709091e+02, 8.27541480e+01, -3.32366235e+02), forces1[517], tol);
ASSERT_EQUAL_VEC(Vec3( 1.48574421e+02, 1.88635391e+02, -5.92117141e+02), forces1[518], tol);
ASSERT_EQUAL_VEC(Vec3(-9.24795792e+01, 6.86826191e+01, 5.16804407e+02), forces1[519], tol);
ASSERT_EQUAL_VEC(Vec3( 4.32902806e+02, -4.67485932e+02, 1.09369501e+02), forces1[520], tol);
ASSERT_EQUAL_VEC(Vec3(-2.19075642e+02, 2.09097287e+00, 1.05235595e+03), forces1[521], tol);
ASSERT_EQUAL_VEC(Vec3(-3.95717922e+02, -3.31346394e+02, 6.33930848e+02), forces1[522], tol);
ASSERT_EQUAL_VEC(Vec3( 2.29152652e+01, 5.34146722e+02, 3.47887307e+01), forces1[523], tol);
ASSERT_EQUAL_VEC(Vec3( 4.58874513e+02, -2.39333403e+02, 5.46784973e+01), forces1[524], tol);
ASSERT_EQUAL_VEC(Vec3( 9.97690238e+01, 6.32211339e+02, -2.38267224e+02), forces1[525], tol);
ASSERT_EQUAL_VEC(Vec3(-5.41815785e+02, 2.23592441e+02, 3.43988502e+02), forces1[526], tol);
ASSERT_EQUAL_VEC(Vec3( 6.66020295e+02, 4.01173887e+02, 3.95444004e+02), forces1[527], tol);
ASSERT_EQUAL_VEC(Vec3(-3.06415141e+02, 9.39706150e+02, -8.27903644e+01), forces1[528], tol);
ASSERT_EQUAL_VEC(Vec3(-6.74078464e+02, 3.08248161e+02, 3.73260958e+02), forces1[529], tol);
ASSERT_EQUAL_VEC(Vec3( 2.12314396e+02, -1.45381664e+02, 2.64300301e+02), forces1[530], tol);
ASSERT_EQUAL_VEC(Vec3( 5.45322328e+01, -8.21066892e+01, 1.51406100e+01), forces1[531], tol);
ASSERT_EQUAL_VEC(Vec3( 1.18910001e+03, 9.92330102e+02, 1.56915624e+02), forces1[532], tol);
ASSERT_EQUAL_VEC(Vec3( 4.27125646e+02, 1.57551086e+02, -3.44348874e+02), forces1[533], tol);
ASSERT_EQUAL_VEC(Vec3( 4.25889733e+02, -8.14519408e+02, -2.37525602e+02), forces1[534], tol);
ASSERT_EQUAL_VEC(Vec3( 1.28754744e+02, 2.55775344e+02, 4.07880224e+02), forces1[535], tol);
ASSERT_EQUAL_VEC(Vec3(-4.27463797e+02, 1.69782847e+02, 1.81381656e+02), forces1[536], tol);
ASSERT_EQUAL_VEC(Vec3(-1.35673145e+01, 6.03614577e+01, -2.72320347e+02), forces1[537], tol);
ASSERT_EQUAL_VEC(Vec3( 3.33191831e+02, 2.70237134e+02, -1.39415972e+02), forces1[538], tol);
ASSERT_EQUAL_VEC(Vec3( 4.27473593e+02, 1.39188845e+02, 1.50065516e+02), forces1[539], tol);
ASSERT_EQUAL_VEC(Vec3(-8.29214695e+01, -1.00138197e+02, -6.82077450e+01), forces1[540], tol);
ASSERT_EQUAL_VEC(Vec3( 4.42484380e+02, -8.63519014e+02, 5.13464509e+02), forces1[541], tol);
ASSERT_EQUAL_VEC(Vec3( 2.60684466e+02, -6.37356238e+01, 1.70982604e+02), forces1[542], tol);
ASSERT_EQUAL_VEC(Vec3(-3.90400226e+02, -6.79695956e+01, -2.36488456e+02), forces1[543], tol);
ASSERT_EQUAL_VEC(Vec3( 2.47126838e+02, -6.89575321e+02, 2.32358423e+02), forces1[544], tol);
ASSERT_EQUAL_VEC(Vec3(-5.36761583e+02, 2.88858194e+02, -6.13643573e+02), forces1[545], tol);
ASSERT_EQUAL_VEC(Vec3(-7.93525749e+02, 1.07662863e+02, 1.05022658e+03), forces1[546], tol);
ASSERT_EQUAL_VEC(Vec3( 5.82900512e+02, 1.51819356e+02, 4.23873744e+02), forces1[547], tol);
ASSERT_EQUAL_VEC(Vec3( 1.88325572e+02, 3.18360865e+02, 2.45830156e+02), forces1[548], tol);
ASSERT_EQUAL_VEC(Vec3( 2.61705414e+02, 2.14134022e+02, -1.84880999e+02), forces1[549], tol);
ASSERT_EQUAL_VEC(Vec3(-6.23192888e+01, -3.92071740e+02, 3.63685367e+02), forces1[550], tol);
ASSERT_EQUAL_VEC(Vec3( 2.19338376e+02, -3.09058211e+02, 2.60284559e+02), forces1[551], tol);
ASSERT_EQUAL_VEC(Vec3( 5.02128707e+02, -5.84024469e+02, -2.55784996e+02), forces1[552], tol);
ASSERT_EQUAL_VEC(Vec3( 3.03909158e+02, 8.14707135e+01, 3.89632253e+02), forces1[553], tol);
ASSERT_EQUAL_VEC(Vec3(-1.63583654e+01, -1.20664911e+02, -1.80828909e+02), forces1[554], tol);
ASSERT_EQUAL_VEC(Vec3( 5.41992468e+02, 1.88563930e+02, 1.13691301e+02), forces1[555], tol);
ASSERT_EQUAL_VEC(Vec3( 1.22553432e+01, -7.61799733e+02, -5.24485038e+02), forces1[556], tol);
ASSERT_EQUAL_VEC(Vec3(-4.66745376e+02, 1.60550422e+02, 1.60943530e+02), forces1[557], tol);
ASSERT_EQUAL_VEC(Vec3( 1.52464706e+02, -2.28608668e+02, -5.94662997e+01), forces1[558], tol);
ASSERT_EQUAL_VEC(Vec3( 1.80874781e+02, 2.02580348e+02, 2.57314201e+02), forces1[559], tol);
ASSERT_EQUAL_VEC(Vec3( 6.16836590e+02, -3.58505580e+02, -5.69821380e+02), forces1[560], tol);
ASSERT_EQUAL_VEC(Vec3(-1.57121513e+02, -1.13551528e+02, -1.64421656e+02), forces1[561], tol);
ASSERT_EQUAL_VEC(Vec3(-5.95579860e+02, 1.76709860e+02, -1.20420471e+02), forces1[562], tol);
ASSERT_EQUAL_VEC(Vec3(-6.71038012e+01, 7.56227414e+02, 5.71572718e+02), forces1[563], tol);
ASSERT_EQUAL_VEC(Vec3(-2.03114489e+02, -5.27279840e+02, -8.87711978e+01), forces1[564], tol);
ASSERT_EQUAL_VEC(Vec3(-1.55593136e+02, 2.45854044e+02, 3.01808246e+01), forces1[565], tol);
ASSERT_EQUAL_VEC(Vec3( 1.30686350e+02, -2.25620374e+02, -3.22214134e+02), forces1[566], tol);
ASSERT_EQUAL_VEC(Vec3( 8.49438622e+00, -1.67348790e+02, 1.64216652e+02), forces1[567], tol);
ASSERT_EQUAL_VEC(Vec3(-2.31492960e+02, -5.94613152e+00, -4.92415232e+02), forces1[568], tol);
ASSERT_EQUAL_VEC(Vec3(-1.99398672e+02, -1.39998676e+02, 2.20660038e+01), forces1[569], tol);
ASSERT_EQUAL_VEC(Vec3(-2.65259682e+02, 6.41897575e+02, 2.96772423e+01), forces1[570], tol);
ASSERT_EQUAL_VEC(Vec3(-6.43663438e+02, -9.18800569e+01, 4.59932589e+02), forces1[571], tol);
ASSERT_EQUAL_VEC(Vec3( 3.08969568e+02, 8.15568208e+02, 4.66102799e+02), forces1[572], tol);
ASSERT_EQUAL_VEC(Vec3( 3.27967531e+02, -3.65749496e+02, -7.14744561e+02), forces1[573], tol);
ASSERT_EQUAL_VEC(Vec3(-2.27124135e+01, 1.71611100e+02, 5.53831720e+02), forces1[574], tol);
ASSERT_EQUAL_VEC(Vec3(-3.66175366e+02, -4.26970546e+02, 4.19237233e+02), forces1[575], tol);
ASSERT_EQUAL_VEC(Vec3( 3.35350939e+02, 4.34257827e+02, 3.88519433e+02), forces1[576], tol);
ASSERT_EQUAL_VEC(Vec3( 1.92391997e+02, 3.19970198e+01, 2.85801367e+02), forces1[577], tol);
ASSERT_EQUAL_VEC(Vec3(-1.98802026e+02, -5.26322826e+02, 3.78354799e+02), forces1[578], tol);
ASSERT_EQUAL_VEC(Vec3( 1.45671139e+01, -4.73231557e+02, 1.99919499e+02), forces1[579], tol);
ASSERT_EQUAL_VEC(Vec3(-4.54983469e+02, -4.41701623e+02, -1.24425267e+01), forces1[580], tol);
ASSERT_EQUAL_VEC(Vec3(-4.14904603e+02, 2.39751623e+02, 1.50738334e+02), forces1[581], tol);
ASSERT_EQUAL_VEC(Vec3(-3.06008464e+02, -5.48479559e+02, 1.68208702e+02), forces1[582], tol);
ASSERT_EQUAL_VEC(Vec3(-4.75151928e+02, -5.13940177e+02, -3.05856025e+02), forces1[583], tol);
ASSERT_EQUAL_VEC(Vec3(-1.94335510e+02, 1.30203790e+02, -3.61867940e+02), forces1[584], tol);
ASSERT_EQUAL_VEC(Vec3(-3.90897312e+02, 9.91504462e+01, -5.15012540e+02), forces1[585], tol);
ASSERT_EQUAL_VEC(Vec3(-6.84365306e+01, 4.13335965e+01, -2.50193483e+02), forces1[586], tol);
ASSERT_EQUAL_VEC(Vec3(-1.33552662e+02, 4.37424563e+02, 3.93116748e+02), forces1[587], tol);
ASSERT_EQUAL_VEC(Vec3( 2.17908981e+02, -3.56944423e+02, -2.19072785e+01), forces1[588], tol);
ASSERT_EQUAL_VEC(Vec3(-6.71090167e+01, -2.85234245e+01, -4.77739167e+02), forces1[589], tol);
ASSERT_EQUAL_VEC(Vec3(-1.52916503e+02, 1.00727331e+02, 7.10681385e+01), forces1[590], tol);
ASSERT_EQUAL_VEC(Vec3(-4.51746452e+02, 3.40018663e+02, -4.62193306e+02), forces1[591], tol);
ASSERT_EQUAL_VEC(Vec3(-3.10163906e+02, 9.78195399e+02, 6.76387827e+02), forces1[592], tol);
ASSERT_EQUAL_VEC(Vec3(-3.27558084e+02, -1.79605758e+02, -2.92242524e+02), forces1[593], tol);
ASSERT_EQUAL_VEC(Vec3(-1.59840534e+02, 2.90890718e+01, -2.88814524e+02), forces1[594], tol);
ASSERT_EQUAL_VEC(Vec3( 2.51648228e+02, -6.16115272e+02, -2.74650686e+02), forces1[595], tol);
ASSERT_EQUAL_VEC(Vec3(-4.29795517e+02, 2.97846602e+02, 2.42790721e+02), forces1[596], tol);
ASSERT_EQUAL_VEC(Vec3(-6.54290494e+01, -3.71027774e+00, 1.09362533e+02), forces1[597], tol);
ASSERT_EQUAL_VEC(Vec3(-1.13635998e+02, 1.22421969e+02, -1.64181430e+02), forces1[598], tol);
ASSERT_EQUAL_VEC(Vec3(-4.58014050e+02, -5.24237205e+02, -4.23517393e+02), forces1[599], tol);
ASSERT_EQUAL_VEC(Vec3(-4.01134799e+02, -3.10910001e+02, -4.86430772e+02), forces1[600], tol);
ASSERT_EQUAL_VEC(Vec3( 5.98531056e+02, 2.14442508e+02, -3.57310754e+02), forces1[601], tol);
ASSERT_EQUAL_VEC(Vec3( 2.56644787e+02, 7.12047294e+01, -6.74281621e+02), forces1[602], tol);
ASSERT_EQUAL_VEC(Vec3(-4.29285173e+02, 3.33264141e+02, -9.12908079e+02), forces1[603], tol);
ASSERT_EQUAL_VEC(Vec3(-2.69676355e+01, -1.31676984e+02, -3.65274088e+02), forces1[604], tol);
ASSERT_EQUAL_VEC(Vec3(-9.51192754e+00, 3.29563459e+02, 1.84451527e+01), forces1[605], tol);
ASSERT_EQUAL_VEC(Vec3( 1.01475969e+03, 8.03401303e+01, -6.28558583e+02), forces1[606], tol);
ASSERT_EQUAL_VEC(Vec3( 2.39384773e+02, -4.08077252e+02, -1.62875513e+02), forces1[607], tol);
ASSERT_EQUAL_VEC(Vec3(-3.93619429e+02, -5.17089524e+02, 5.21862274e+02), forces1[608], tol);
ASSERT_EQUAL_VEC(Vec3(-1.37188342e+02, -3.86301530e+01, 4.26852072e+02), forces1[609], tol);
ASSERT_EQUAL_VEC(Vec3( 4.56729328e+02, 1.63797747e+02, 1.01225457e+01), forces1[610], tol);
ASSERT_EQUAL_VEC(Vec3(-1.53128373e+02, 1.02270086e+02, -7.27501148e+02), forces1[611], tol);
ASSERT_EQUAL_VEC(Vec3(-1.82095738e+02, 7.23918424e+00, -5.10663887e+02), forces1[612], tol);
ASSERT_EQUAL_VEC(Vec3( 3.54485642e+02, -8.64332815e+01, -4.10166872e+02), forces1[613], tol);
ASSERT_EQUAL_VEC(Vec3(-6.67557801e+01, -7.57917504e+01, 7.77239103e+01), forces1[614], tol);
ASSERT_EQUAL_VEC(Vec3( 5.34069903e+01, -3.49052174e+02, -4.41040697e+02), forces1[615], tol);
ASSERT_EQUAL_VEC(Vec3(-2.55993121e+02, -1.85106916e+02, -1.67700877e+01), forces1[616], tol);
ASSERT_EQUAL_VEC(Vec3(-2.60226735e+02, 4.50682021e+02, 6.87571461e+02), forces1[617], tol);
ASSERT_EQUAL_VEC(Vec3(-4.84797099e+01, -1.47670701e+02, 1.30460152e+02), forces1[618], tol);
ASSERT_EQUAL_VEC(Vec3(-5.03867743e+02, 3.00373068e+02, 2.90989581e+01), forces1[619], tol);
ASSERT_EQUAL_VEC(Vec3(-3.26901569e+02, -2.54115591e+02, -1.97292733e+02), forces1[620], tol);
ASSERT_EQUAL_VEC(Vec3( 2.23124353e+02, 4.31821924e+02, -3.45785529e+02), forces1[621], tol);
ASSERT_EQUAL_VEC(Vec3(-2.69721533e+00, -7.70690632e+01, -4.19805145e-01), forces1[622], tol);
ASSERT_EQUAL_VEC(Vec3( 8.20412852e+02, 7.99595268e+02, 4.14368303e+02), forces1[623], tol);
ASSERT_EQUAL_VEC(Vec3(-6.20301649e+01, -4.27145295e+02, -3.70568508e+02), forces1[624], tol);
ASSERT_EQUAL_VEC(Vec3(-2.49452268e+01, -1.44630413e+02, 7.41551042e+02), forces1[625], tol);
ASSERT_EQUAL_VEC(Vec3(-6.41685916e+02, 6.29980324e+01, 1.57997582e+02), forces1[626], tol);
ASSERT_EQUAL_VEC(Vec3(-5.89339824e+02, -2.66715415e+02, 7.40290187e+01), forces1[627], tol);
ASSERT_EQUAL_VEC(Vec3( 5.26893408e+02, -4.19407888e+02, -2.37125726e+02), forces1[628], tol);
ASSERT_EQUAL_VEC(Vec3( 4.42841034e+02, -3.91060128e+00, 5.35417838e+02), forces1[629], tol);
ASSERT_EQUAL_VEC(Vec3( 2.38357324e+02, -5.34613334e+02, 2.63026026e+02), forces1[630], tol);
ASSERT_EQUAL_VEC(Vec3(-2.48018560e+02, -1.44967289e+01, 7.55539331e+02), forces1[631], tol);
ASSERT_EQUAL_VEC(Vec3(-8.06994987e+01, -4.42696335e+02, -4.11279013e+02), forces1[632], tol);
ASSERT_EQUAL_VEC(Vec3( 4.64135556e+02, -7.82576620e+02, 7.48567804e+02), forces1[633], tol);
ASSERT_EQUAL_VEC(Vec3( 3.75022611e+02, 3.06926438e+02, 2.76985876e+02), forces1[634], tol);
ASSERT_EQUAL_VEC(Vec3( 4.43672142e+02, -1.70168440e+02, -2.61360725e+02), forces1[635], tol);
ASSERT_EQUAL_VEC(Vec3( 5.20775219e+02, -7.66015101e+00, -2.76123645e+02), forces1[636], tol);
ASSERT_EQUAL_VEC(Vec3(-2.28464032e+02, 5.33849652e+02, -3.58040265e+01), forces1[637], tol);
ASSERT_EQUAL_VEC(Vec3(-1.70105892e+02, -7.30464804e+01, -3.73115603e+02), forces1[638], tol);
ASSERT_EQUAL_VEC(Vec3( 1.90860772e+02, 1.53722926e+02, -9.75608771e+00), forces1[639], tol);
ASSERT_EQUAL_VEC(Vec3( 2.59606432e+02, 2.75260084e+01, -2.02338885e+02), forces1[640], tol);
ASSERT_EQUAL_VEC(Vec3( 3.25211743e+02, 2.78186538e+01, 5.21700978e+02), forces1[641], tol);
ASSERT_EQUAL_VEC(Vec3( 1.12827984e+02, -6.70115666e+02, -7.85972574e+01), forces1[642], tol);
ASSERT_EQUAL_VEC(Vec3(-1.09776266e+01, -4.90753809e+01, -2.91319708e+02), forces1[643], tol);
ASSERT_EQUAL_VEC(Vec3( 2.77337771e+02, 2.29328824e+02, 5.59770839e+02), forces1[644], tol);
ASSERT_EQUAL_VEC(Vec3( 4.59572121e+02, 1.21311799e+02, -4.79315463e+02), forces1[645], tol);
ASSERT_EQUAL_VEC(Vec3(-5.30617073e+02, -3.96120276e+02, -4.37634971e+01), forces1[646], tol);
ASSERT_EQUAL_VEC(Vec3( 5.87394968e+01, 3.74984490e+02, -4.60404623e+00), forces1[647], tol);
ASSERT_EQUAL_VEC(Vec3(-5.72051098e+02, -3.24819120e+02, -5.11080203e+01), forces1[648], tol);
ASSERT_EQUAL_VEC(Vec3(-1.51869992e+03, 1.63914081e+02, -7.68191132e+01), forces1[649], tol);
ASSERT_EQUAL_VEC(Vec3( 4.86996174e+02, 5.16874032e+02, -7.62783455e+01), forces1[650], tol);
ASSERT_EQUAL_VEC(Vec3( 2.48291844e+02, -8.90767951e+02, 6.71591151e+01), forces1[651], tol);
ASSERT_EQUAL_VEC(Vec3(-1.55902671e+00, 1.36945322e+02, -1.04198745e+02), forces1[652], tol);
ASSERT_EQUAL_VEC(Vec3(-1.20204512e+02, 2.89617545e+02, -6.63132635e+02), forces1[653], tol);
ASSERT_EQUAL_VEC(Vec3(-1.59431738e+02, -4.16178632e+02, 2.79410323e+02), forces1[654], tol);
ASSERT_EQUAL_VEC(Vec3(-2.98742818e+02, -2.96272331e+02, 3.36156942e+02), forces1[655], tol);
ASSERT_EQUAL_VEC(Vec3(-4.91918911e+02, -4.26618142e+01, 1.25349379e+01), forces1[656], tol);
ASSERT_EQUAL_VEC(Vec3(-2.47949202e+02, -2.67488422e+02, 2.21868927e+02), forces1[657], tol);
ASSERT_EQUAL_VEC(Vec3(-2.42806912e+01, 2.61371857e+01, -6.65056079e+01), forces1[658], tol);
ASSERT_EQUAL_VEC(Vec3( 3.64167110e+02, 4.13052005e+02, -5.51357152e+02), forces1[659], tol);
ASSERT_EQUAL_VEC(Vec3( 3.74835025e+02, -6.33613808e+02, 5.37740565e+00), forces1[660], tol);
ASSERT_EQUAL_VEC(Vec3( 6.51925635e+01, 5.97066743e+02, 2.54479164e+01), forces1[661], tol);
ASSERT_EQUAL_VEC(Vec3(-2.53444698e+02, -7.31192246e-02, -3.64183108e+02), forces1[662], tol);
ASSERT_EQUAL_VEC(Vec3(-4.19912375e+01, 5.32489389e+02, 5.67529873e+02), forces1[663], tol);
ASSERT_EQUAL_VEC(Vec3( 2.18364904e+01, -2.88671495e+02, 2.73914838e+02), forces1[664], tol);
ASSERT_EQUAL_VEC(Vec3( 2.56684383e+02, 1.75277073e+02, 2.67819228e+02), forces1[665], tol);
ASSERT_EQUAL_VEC(Vec3(-1.42021939e+02, -1.93549789e+02, -4.45927086e+02), forces1[666], tol);
ASSERT_EQUAL_VEC(Vec3(-5.74451363e+01, -4.30855207e+02, -7.59667162e+02), forces1[667], tol);
ASSERT_EQUAL_VEC(Vec3(-4.90348302e+02, 2.12533193e+02, 1.21388630e+02), forces1[668], tol);
ASSERT_EQUAL_VEC(Vec3( 1.94617803e+02, 1.32085507e+02, 1.71425945e+02), forces1[669], tol);
ASSERT_EQUAL_VEC(Vec3(-2.73616831e+02, 7.78021634e+02, 2.78045494e+02), forces1[670], tol);
ASSERT_EQUAL_VEC(Vec3(-2.62086498e+02, 3.53986939e+02, 1.59714894e+02), forces1[671], tol);
ASSERT_EQUAL_VEC(Vec3( 3.73999411e+01, -6.21073575e+02, -1.89719863e+02), forces1[672], tol);
ASSERT_EQUAL_VEC(Vec3( 2.70260860e+02, -1.98707881e+02, -1.68446389e+02), forces1[673], tol);
ASSERT_EQUAL_VEC(Vec3(-3.72177189e+02, 2.16561917e+02, -7.51668953e+01), forces1[674], tol);
ASSERT_EQUAL_VEC(Vec3( 4.60661709e+02, -2.41016609e+02, 1.87547311e+02), forces1[675], tol);
ASSERT_EQUAL_VEC(Vec3(-8.64826359e+00, -4.96643240e+01, 4.14108827e+02), forces1[676], tol);
ASSERT_EQUAL_VEC(Vec3(-5.53564746e+02, 2.02028062e+02, 2.48782202e+02), forces1[677], tol);
ASSERT_EQUAL_VEC(Vec3( 4.12907277e+02, 3.97611070e+02, -7.77110932e+02), forces1[678], tol);
ASSERT_EQUAL_VEC(Vec3( 4.37842786e+02, 3.87794283e+02, -2.57117992e+02), forces1[679], tol);
ASSERT_EQUAL_VEC(Vec3(-1.99542679e+02, -5.31843337e+02, -7.08353449e+02), forces1[680], tol);
ASSERT_EQUAL_VEC(Vec3( 7.16866224e+01, 2.15343692e+02, -2.17970964e+02), forces1[681], tol);
ASSERT_EQUAL_VEC(Vec3(-2.27242549e+02, -3.33098733e+02, -8.95890783e+01), forces1[682], tol);
ASSERT_EQUAL_VEC(Vec3( 1.12351413e+02, -2.81401181e+02, 1.84388002e+02), forces1[683], tol);
ASSERT_EQUAL_VEC(Vec3( 5.30452008e+01, -1.73617150e+02, 3.80454625e+02), forces1[684], tol);
ASSERT_EQUAL_VEC(Vec3(-1.53115972e+02, -4.19542700e+02, 3.62046980e+02), forces1[685], tol);
ASSERT_EQUAL_VEC(Vec3(-8.25931831e+01, 1.22022997e+02, -2.05397162e+01), forces1[686], tol);
ASSERT_EQUAL_VEC(Vec3(-4.09536810e+02, 3.88110352e+01, 7.34591479e+02), forces1[687], tol);
ASSERT_EQUAL_VEC(Vec3( 2.30482332e+02, 4.58992821e+01, -3.44448449e+02), forces1[688], tol);
ASSERT_EQUAL_VEC(Vec3(-2.99021647e+02, 6.71173507e+02, -1.01234738e+03), forces1[689], tol);
ASSERT_EQUAL_VEC(Vec3( 2.93609447e+02, -1.62689588e+01, -5.52892039e+02), forces1[690], tol);
ASSERT_EQUAL_VEC(Vec3(-1.41608406e+02, -4.87778496e+02, 2.73057317e+02), forces1[691], tol);
ASSERT_EQUAL_VEC(Vec3(-1.26623333e+02, -4.36398742e+02, 7.19789728e+01), forces1[692], tol);
ASSERT_EQUAL_VEC(Vec3( 1.33484619e+02, 2.25668941e+02, 5.65772889e+02), forces1[693], tol);
ASSERT_EQUAL_VEC(Vec3( 7.34328437e+02, 4.69241195e+02, -5.53029876e+02), forces1[694], tol);
ASSERT_EQUAL_VEC(Vec3(-6.36703964e+01, -2.05105546e+02, -4.73051447e+02), forces1[695], tol);
ASSERT_EQUAL_VEC(Vec3(-3.35917709e+02, -2.75962396e+02, 4.10424916e+02), forces1[696], tol);
ASSERT_EQUAL_VEC(Vec3(-1.98439482e+02, -2.81389872e+02, -1.48450243e+02), forces1[697], tol);
ASSERT_EQUAL_VEC(Vec3( 6.96988850e+02, -2.08391821e+02, -1.22085562e+02), forces1[698], tol);
ASSERT_EQUAL_VEC(Vec3( 6.16645748e+02, -2.04946166e+02, -2.28454418e+02), forces1[699], tol);
ASSERT_EQUAL_VEC(Vec3( 1.59003207e+02, 2.68316786e+02, -1.13415654e+02), forces1[700], tol);
ASSERT_EQUAL_VEC(Vec3( 2.52361394e+02, 3.78641684e+02, -1.30511196e+03), forces1[701], tol);
ASSERT_EQUAL_VEC(Vec3( 7.30824903e+02, -3.70993861e+02, -6.60674538e+02), forces1[702], tol);
ASSERT_EQUAL_VEC(Vec3(-4.64466620e+01, 1.28056043e+02, 8.75616746e+01), forces1[703], tol);
ASSERT_EQUAL_VEC(Vec3( 3.26209378e+02, -1.75823502e+02, 7.02935072e+01), forces1[704], tol);
ASSERT_EQUAL_VEC(Vec3( 9.80733438e+01, -2.26694393e+02, -2.00005470e+02), forces1[705], tol);
ASSERT_EQUAL_VEC(Vec3( 5.01964740e+01, 2.67230250e+02, 5.24657350e+02), forces1[706], tol);
ASSERT_EQUAL_VEC(Vec3(-2.52920558e+02, -8.04959983e+02, 4.03061082e+02), forces1[707], tol);
ASSERT_EQUAL_VEC(Vec3(-2.40233840e+02, -2.54317274e+02, 5.06457155e+02), forces1[708], tol);
ASSERT_EQUAL_VEC(Vec3( 4.48943662e+02, 3.49500783e+02, 2.88397394e+02), forces1[709], tol);
ASSERT_EQUAL_VEC(Vec3( 3.10154028e+02, 3.91036441e+02, -9.77447313e+02), forces1[710], tol);
ASSERT_EQUAL_VEC(Vec3( 7.63180049e+02, 2.06937000e+02, 1.03491184e+02), forces1[711], tol);
ASSERT_EQUAL_VEC(Vec3( 4.64445959e+02, 2.52682144e+02, 7.37736774e+01), forces1[712], tol);
ASSERT_EQUAL_VEC(Vec3( 9.14937811e+02, 3.40042036e+02, -2.99018712e+02), forces1[713], tol);
ASSERT_EQUAL_VEC(Vec3( 5.05299633e+02, 1.59569259e+02, -9.12327108e+00), forces1[714], tol);
ASSERT_EQUAL_VEC(Vec3(-3.46682702e+02, 1.40007400e+02, 1.54710821e+02), forces1[715], tol);
ASSERT_EQUAL_VEC(Vec3(-1.66209573e+01, -4.02206977e+01, -1.23824382e+02), forces1[716], tol);
ASSERT_EQUAL_VEC(Vec3(-7.57122358e+01, -4.48068180e+02, -4.21106487e+02), forces1[717], tol);
ASSERT_EQUAL_VEC(Vec3( 1.04054861e+03, -2.36054466e+02, 1.43176151e+01), forces1[718], tol);
ASSERT_EQUAL_VEC(Vec3(-2.65447945e+01, 6.06566369e+02, 4.91348853e+01), forces1[719], tol);
ASSERT_EQUAL_VEC(Vec3(-1.33799337e+02, -3.09748236e+02, 2.79834422e+01), forces1[720], tol);
ASSERT_EQUAL_VEC(Vec3(-9.76340308e+01, -1.13791543e+03, 4.60481356e+02), forces1[721], tol);
ASSERT_EQUAL_VEC(Vec3(-2.56814290e+02, 9.31514446e+01, 3.24980766e+02), forces1[722], tol);
ASSERT_EQUAL_VEC(Vec3(-8.66006627e+01, 5.60562069e+02, 2.96440803e+02), forces1[723], tol);
ASSERT_EQUAL_VEC(Vec3( 1.26231775e+02, 1.40946887e+02, 3.97459193e+02), forces1[724], tol);
ASSERT_EQUAL_VEC(Vec3( 1.03134630e+02, -1.43345076e+02, 1.91574929e+02), forces1[725], tol);
ASSERT_EQUAL_VEC(Vec3(-9.29586783e+01, 4.44777503e+01, -9.69828338e+01), forces1[726], tol);
ASSERT_EQUAL_VEC(Vec3(-1.07833245e+02, 4.40219598e+01, 2.20888632e+02), forces1[727], tol);
ASSERT_EQUAL_VEC(Vec3( 2.92915083e+02, 5.54179388e+02, 3.57016084e+02), forces1[728], tol);
ASSERT_EQUAL_VEC(Vec3(-6.11696651e+02, 1.34361189e+02, 4.74917740e+01), forces1[729], tol);
ASSERT_EQUAL_VEC(Vec3(-8.07629704e+02, 1.63946818e+01, -2.56529488e+02), forces1[730], tol);
ASSERT_EQUAL_VEC(Vec3( 5.08866790e+01, 1.35087356e+01, 4.82186568e+02), forces1[731], tol);
ASSERT_EQUAL_VEC(Vec3(-5.01056820e+02, -7.35300196e+02, 6.67917664e+02), forces1[732], tol);
ASSERT_EQUAL_VEC(Vec3(-1.75353826e+00, 6.70720055e+02, -1.03873923e+03), forces1[733], tol);
ASSERT_EQUAL_VEC(Vec3(-1.95461285e+02, 4.63755838e+02, 7.41243174e+01), forces1[734], tol);
ASSERT_EQUAL_VEC(Vec3(-2.73265807e+02, -4.33952751e+02, -5.86859952e+02), forces1[735], tol);
ASSERT_EQUAL_VEC(Vec3( 3.87492595e+02, -3.57416581e+02, -1.22674219e+02), forces1[736], tol);
ASSERT_EQUAL_VEC(Vec3( 2.10277679e+02, -8.24319147e+01, -3.92467268e+02), forces1[737], tol);
ASSERT_EQUAL_VEC(Vec3( 8.30183105e+02, -6.58248549e+02, -4.70873747e+02), forces1[738], tol);
ASSERT_EQUAL_VEC(Vec3( 1.32224273e+02, 1.07242154e+02, -2.42599632e+02), forces1[739], tol);
ASSERT_EQUAL_VEC(Vec3(-4.36748065e+02, 2.00463318e+01, -3.45993944e+02), forces1[740], tol);
ASSERT_EQUAL_VEC(Vec3(-5.77263697e+02, 1.27439720e+02, -4.58810491e+02), forces1[741], tol);
ASSERT_EQUAL_VEC(Vec3( 1.97481946e+02, -2.58388548e+02, 1.34658918e+02), forces1[742], tol);
ASSERT_EQUAL_VEC(Vec3( 3.87665419e+01, -8.11439393e+02, -2.37617083e+02), forces1[743], tol);
ASSERT_EQUAL_VEC(Vec3(-5.43756717e+02, 7.08678099e+01, -1.18510886e+02), forces1[744], tol);
ASSERT_EQUAL_VEC(Vec3(-4.18101023e+02, 9.12399127e+01, -3.26402702e+02), forces1[745], tol);
ASSERT_EQUAL_VEC(Vec3(-1.04715128e+02, 4.73092172e+02, -5.52394413e+02), forces1[746], tol);
ASSERT_EQUAL_VEC(Vec3( 1.50377202e+02, 6.74569790e+02, -8.65206460e+01), forces1[747], tol);
ASSERT_EQUAL_VEC(Vec3(-4.91854971e+01, 9.70238350e+01, 4.14795171e+01), forces1[748], tol);
ASSERT_EQUAL_VEC(Vec3(-1.53136450e+02, -3.14704270e+02, 1.64509568e+02), forces1[749], tol);
ASSERT_EQUAL_VEC(Vec3( 5.38381589e-01, -2.20857586e+02, 2.62858346e+02), forces1[750], tol);
ASSERT_EQUAL_VEC(Vec3(-6.92118459e+02, 2.00416528e+02, -2.65829388e+02), forces1[751], tol);
ASSERT_EQUAL_VEC(Vec3( 3.79128765e+01, -1.05184233e+02, -3.82602540e+01), forces1[752], tol);
ASSERT_EQUAL_VEC(Vec3(-2.53012338e+02, 2.11976275e+02, -3.81671037e+02), forces1[753], tol);
ASSERT_EQUAL_VEC(Vec3(-2.51271776e+02, -3.93332088e+02, -1.33288963e+01), forces1[754], tol);
ASSERT_EQUAL_VEC(Vec3(-3.01457396e+01, 1.45589903e+02, -6.30529431e+01), forces1[755], tol);
ASSERT_EQUAL_VEC(Vec3(-2.76296961e+02, -4.61689259e+02, -2.69337581e+02), forces1[756], tol);
ASSERT_EQUAL_VEC(Vec3( 6.48638526e+01, 3.68743791e+02, 2.32261042e+02), forces1[757], tol);
ASSERT_EQUAL_VEC(Vec3(-4.48058548e+02, 4.24011162e+02, 2.00613297e+02), forces1[758], tol);
ASSERT_EQUAL_VEC(Vec3( 1.50464122e+01, -7.33758427e+01, 4.00841100e+02), forces1[759], tol);
ASSERT_EQUAL_VEC(Vec3( 4.06782738e+02, 1.22303609e+02, -3.26339153e+02), forces1[760], tol);
ASSERT_EQUAL_VEC(Vec3(-3.55711012e+02, -4.23650736e+02, 1.92960061e+02), forces1[761], tol);
ASSERT_EQUAL_VEC(Vec3(-4.78915336e+01, 1.13386663e+02, -4.55722593e+02), forces1[762], tol);
ASSERT_EQUAL_VEC(Vec3( 5.50242083e+02, 3.20971060e+02, -2.04129569e+02), forces1[763], tol);
ASSERT_EQUAL_VEC(Vec3(-3.98415518e+01, 6.43149241e+01, 2.62918629e+02), forces1[764], tol);
ASSERT_EQUAL_VEC(Vec3(-7.85279974e+01, -7.50534137e+01, -7.62991530e+02), forces1[765], tol);
ASSERT_EQUAL_VEC(Vec3( 9.55632719e+00, -3.95488033e+02, -8.95724718e+01), forces1[766], tol);
ASSERT_EQUAL_VEC(Vec3( 4.83248484e+02, -7.40432533e+02, -5.32388436e+02), forces1[767], tol);
ASSERT_EQUAL_VEC(Vec3(-1.61825590e+02, 8.15278549e+01, 4.71854738e+02), forces1[768], tol);
ASSERT_EQUAL_VEC(Vec3(-3.30808156e+02, -4.21996977e+01, -1.05047553e+03), forces1[769], tol);
ASSERT_EQUAL_VEC(Vec3( 3.34236506e+02, -1.34581292e+02, 3.33945615e+02), forces1[770], tol);
ASSERT_EQUAL_VEC(Vec3( 2.25548584e+01, 6.94629483e+02, 3.48264737e+01), forces1[771], tol);
ASSERT_EQUAL_VEC(Vec3( 4.92311713e+02, -3.56653650e+02, 7.11601228e+01), forces1[772], tol);
ASSERT_EQUAL_VEC(Vec3( 2.17161427e+02, 4.05017188e+01, 3.47168571e+02), forces1[773], tol);
ASSERT_EQUAL_VEC(Vec3(-1.61160760e+01, 1.47265327e+03, 5.49839208e+02), forces1[774], tol);
ASSERT_EQUAL_VEC(Vec3( 8.39508346e+01, -4.18462111e+02, 2.34856125e+02), forces1[775], tol);
ASSERT_EQUAL_VEC(Vec3(-2.31363191e+02, 2.37282362e+02, 6.61594930e+01), forces1[776], tol);
ASSERT_EQUAL_VEC(Vec3(-6.23920550e+01, -7.00163723e+02, 4.91292544e+02), forces1[777], tol);
ASSERT_EQUAL_VEC(Vec3( 2.68222410e+01, 2.46989964e+02, 6.49012925e-01), forces1[778], tol);
ASSERT_EQUAL_VEC(Vec3( 5.26234504e+02, 1.10220781e+02, 3.46422754e+02), forces1[779], tol);
ASSERT_EQUAL_VEC(Vec3(-3.29262429e+02, -3.87187275e+02, 8.51736504e+01), forces1[780], tol);
ASSERT_EQUAL_VEC(Vec3( 6.42859552e+02, 2.34857815e+02, 3.71368125e+02), forces1[781], tol);
ASSERT_EQUAL_VEC(Vec3(-3.24691537e+02, 5.64035803e+02, -4.45828642e+01), forces1[782], tol);
ASSERT_EQUAL_VEC(Vec3( 5.74664181e+01, 1.20257138e+02, -5.84616728e+01), forces1[783], tol);
ASSERT_EQUAL_VEC(Vec3(-2.83822896e+02, -2.10782913e+02, 1.66012284e+02), forces1[784], tol);
ASSERT_EQUAL_VEC(Vec3( 4.01591578e+02, -2.85111660e+02, 2.49467396e+02), forces1[785], tol);
ASSERT_EQUAL_VEC(Vec3( 3.05502334e+02, 7.04806702e+02, -5.94571548e+01), forces1[786], tol);
ASSERT_EQUAL_VEC(Vec3(-5.06843754e+02, 3.13614505e+02, -7.30043017e+02), forces1[787], tol);
ASSERT_EQUAL_VEC(Vec3(-1.65622368e+02, -1.02579327e+02, -4.10521389e+02), forces1[788], tol);
ASSERT_EQUAL_VEC(Vec3( 2.50016463e+02, 9.82377276e+02, 3.08289476e+02), forces1[789], tol);
ASSERT_EQUAL_VEC(Vec3( 3.60198825e+02, 3.06200915e+02, 4.01455745e+02), forces1[790], tol);
ASSERT_EQUAL_VEC(Vec3(-5.15582709e+02, -3.80887100e+02, -2.65984423e+02), forces1[791], tol);
ASSERT_EQUAL_VEC(Vec3( 9.16914445e+02, -2.70992304e+02, 2.88892766e+02), forces1[792], tol);
ASSERT_EQUAL_VEC(Vec3( 5.58063411e+01, 1.28556880e+02, 4.36834411e+02), forces1[793], tol);
ASSERT_EQUAL_VEC(Vec3( 3.48855713e+02, 3.63953389e+02, 3.78554885e+02), forces1[794], tol);
ASSERT_EQUAL_VEC(Vec3( 6.36625415e+02, -1.91568531e+02, 4.14269326e+02), forces1[795], tol);
ASSERT_EQUAL_VEC(Vec3(-3.31399256e+01, -1.47717726e+02, 3.03791102e+02), forces1[796], tol);
ASSERT_EQUAL_VEC(Vec3(-8.19625890e+01, -5.66609696e+02, -7.77438618e+01), forces1[797], tol);
ASSERT_EQUAL_VEC(Vec3( 1.20348179e+02, 3.66643084e+02, -2.38052731e+02), forces1[798], tol);
ASSERT_EQUAL_VEC(Vec3( 3.60705602e+02, 4.45404187e+02, -6.03564902e+02), forces1[799], tol);
ASSERT_EQUAL_VEC(Vec3(-8.71394660e+01, 1.63937553e+02, -1.43929941e+02), forces1[800], tol);
ASSERT_EQUAL_VEC(Vec3(-9.99012969e+01, 1.96050644e+01, -5.85512840e+01), forces1[801], tol);
ASSERT_EQUAL_VEC(Vec3( 4.81464959e+02, -7.04133234e+01, -2.08003335e+02), forces1[802], tol);
ASSERT_EQUAL_VEC(Vec3(-7.69383659e+02, 5.40518266e+01, 5.38423746e+02), forces1[803], tol);
ASSERT_EQUAL_VEC(Vec3(-6.60834570e+02, -1.87942951e+02, 4.11979846e+02), forces1[804], tol);
ASSERT_EQUAL_VEC(Vec3( 1.06277928e+02, 3.55317856e+02, -2.27807465e+02), forces1[805], tol);
ASSERT_EQUAL_VEC(Vec3(-2.66112993e+02, 2.41378629e+02, -4.99239330e+02), forces1[806], tol);
ASSERT_EQUAL_VEC(Vec3(-5.23091617e+01, 9.33588668e+01, 7.23830549e+02), forces1[807], tol);
ASSERT_EQUAL_VEC(Vec3( 2.82159908e+00, 6.04185043e+01, 1.65510623e+02), forces1[808], tol);
ASSERT_EQUAL_VEC(Vec3(-2.97249356e+02, -5.53850820e+01, 3.87132557e+02), forces1[809], tol);
ASSERT_EQUAL_VEC(Vec3(-8.18654835e+02, -2.66089588e+02, 1.07282779e+03), forces1[810], tol);
ASSERT_EQUAL_VEC(Vec3(-2.43727371e+02, -2.51641252e+02, 3.46339026e+02), forces1[811], tol);
ASSERT_EQUAL_VEC(Vec3( 4.04775249e+02, 1.12602806e+02, -6.66755260e+02), forces1[812], tol);
ASSERT_EQUAL_VEC(Vec3(-8.30889004e+01, -9.75627382e+01, -5.15294649e+02), forces1[813], tol);
ASSERT_EQUAL_VEC(Vec3(-8.88900158e+01, -2.43585030e+02, -4.28254176e+02), forces1[814], tol);
ASSERT_EQUAL_VEC(Vec3(-9.15239756e+01, 4.50356816e+02, -2.64185924e+02), forces1[815], tol);
ASSERT_EQUAL_VEC(Vec3(-9.11727906e+01, 4.24890801e+02, -1.85085639e+02), forces1[816], tol);
ASSERT_EQUAL_VEC(Vec3(-3.91190277e+02, -6.86391314e+02, 1.52743025e+02), forces1[817], tol);
ASSERT_EQUAL_VEC(Vec3(-8.21031361e+01, -2.49525239e+02, 5.27536153e+02), forces1[818], tol);
ASSERT_EQUAL_VEC(Vec3(-1.09414974e+02, -6.29098191e+02, 3.34955724e+02), forces1[819], tol);
ASSERT_EQUAL_VEC(Vec3(-4.17387560e+02, -9.10777301e+01, -3.54885448e+01), forces1[820], tol);
ASSERT_EQUAL_VEC(Vec3( 2.79543439e+02, -5.39041840e+02, 5.07374351e+02), forces1[821], tol);
ASSERT_EQUAL_VEC(Vec3( 2.14822336e+02, 1.92270744e+01, -3.14848497e+02), forces1[822], tol);
ASSERT_EQUAL_VEC(Vec3(-1.92605165e+02, -4.26132560e+02, -6.22677382e+00), forces1[823], tol);
ASSERT_EQUAL_VEC(Vec3(-6.55145464e+02, -4.86073333e+02, -3.89399825e+02), forces1[824], tol);
ASSERT_EQUAL_VEC(Vec3(-1.89867341e+02, -3.77315894e+02, -1.36214663e+02), forces1[825], tol);
ASSERT_EQUAL_VEC(Vec3( 4.60001225e+02, 1.99094537e+02, 2.82584474e+02), forces1[826], tol);
ASSERT_EQUAL_VEC(Vec3( 1.21553284e+02, -1.21203683e+02, 7.24058067e+02), forces1[827], tol);
ASSERT_EQUAL_VEC(Vec3(-9.16986437e+01, 7.09307382e+01, 7.89267421e+01), forces1[828], tol);
ASSERT_EQUAL_VEC(Vec3(-3.83808972e+02, 8.44796287e+01, 1.09604935e+03), forces1[829], tol);
ASSERT_EQUAL_VEC(Vec3(-3.65392705e+02, -1.88802374e+02, 4.62347013e+02), forces1[830], tol);
ASSERT_EQUAL_VEC(Vec3( 5.76337730e+02, -9.41995570e+01, -1.98141882e+02), forces1[831], tol);
ASSERT_EQUAL_VEC(Vec3(-4.21540736e+02, -5.96961388e+01, -8.33517850e+02), forces1[832], tol);
ASSERT_EQUAL_VEC(Vec3( 1.20307619e+03, 4.53518250e+02, 2.29372510e+02), forces1[833], tol);
ASSERT_EQUAL_VEC(Vec3( 2.92097304e+02, 4.13164379e+01, -3.61110495e+02), forces1[834], tol);
ASSERT_EQUAL_VEC(Vec3( 2.49877930e+02, -1.26742169e+02, 2.01739900e+02), forces1[835], tol);
ASSERT_EQUAL_VEC(Vec3( 4.82075008e+02, -4.36717554e+02, 2.10931182e+02), forces1[836], tol);
ASSERT_EQUAL_VEC(Vec3( 7.40048230e+00, -3.07870679e+02, -2.19267744e+02), forces1[837], tol);
ASSERT_EQUAL_VEC(Vec3(-1.77929397e+02, -1.78455309e+02, 3.27383377e+02), forces1[838], tol);
ASSERT_EQUAL_VEC(Vec3(-1.43502125e+02, 2.36677035e+02, 1.76250580e+02), forces1[839], tol);
ASSERT_EQUAL_VEC(Vec3(-3.11015280e+02, 3.30102369e+01, 2.29419157e+02), forces1[840], tol);
ASSERT_EQUAL_VEC(Vec3( 7.16636078e+01, -1.43182827e+00, -8.22939586e+02), forces1[841], tol);
ASSERT_EQUAL_VEC(Vec3(-2.21647238e+02, -4.50480586e+01, -4.49964194e+02), forces1[842], tol);
ASSERT_EQUAL_VEC(Vec3(-4.26322975e+02, -2.93336811e+02, 2.05038938e+02), forces1[843], tol);
ASSERT_EQUAL_VEC(Vec3( 8.06775958e+01, 3.83777410e+02, 4.54379037e+02), forces1[844], tol);
ASSERT_EQUAL_VEC(Vec3( 1.36404637e+01, -1.12124193e+02, -2.08562538e+02), forces1[845], tol);
ASSERT_EQUAL_VEC(Vec3(-4.31330496e+01, 1.28721913e+02, 2.41017400e+02), forces1[846], tol);
ASSERT_EQUAL_VEC(Vec3( 3.71916499e+02, 3.66494598e+02, -1.02567885e+02), forces1[847], tol);
ASSERT_EQUAL_VEC(Vec3(-2.30281354e+02, 7.54907643e+02, 1.07586282e+02), forces1[848], tol);
ASSERT_EQUAL_VEC(Vec3( 2.67865075e+02, -1.51751902e+01, -1.70086059e+02), forces1[849], tol);
ASSERT_EQUAL_VEC(Vec3(-9.39303971e+02, 5.64031361e+01, -2.22408474e+02), forces1[850], tol);
ASSERT_EQUAL_VEC(Vec3(-1.01324797e+02, 3.31075650e+02, 7.07373134e+02), forces1[851], tol);
ASSERT_EQUAL_VEC(Vec3( 1.78185244e+02, 8.50185531e+01, -6.39941165e+02), forces1[852], tol);
ASSERT_EQUAL_VEC(Vec3( 3.33075565e+02, 9.10263334e+01, 1.20466005e+02), forces1[853], tol);
ASSERT_EQUAL_VEC(Vec3( 4.22270537e+01, -7.37202915e+02, 6.08451352e+02), forces1[854], tol);
ASSERT_EQUAL_VEC(Vec3(-4.16913834e+02, -4.82510498e+02, 3.91902755e+01), forces1[855], tol);
ASSERT_EQUAL_VEC(Vec3(-4.09087109e+02, -1.95401814e+02, -1.49030786e+02), forces1[856], tol);
ASSERT_EQUAL_VEC(Vec3(-2.89287185e+01, 3.78198264e+02, 2.19689536e+02), forces1[857], tol);
ASSERT_EQUAL_VEC(Vec3(-2.77576965e+02, 7.90464050e+01, 3.49478331e+02), forces1[858], tol);
ASSERT_EQUAL_VEC(Vec3( 4.71047132e+02, -1.88937165e+02, -2.48124657e+02), forces1[859], tol);
ASSERT_EQUAL_VEC(Vec3(-1.51518383e+02, 4.96193568e+01, -2.65467571e+02), forces1[860], tol);
ASSERT_EQUAL_VEC(Vec3(-7.66418994e+02, 8.46521518e+01, -3.64791094e+02), forces1[861], tol);
ASSERT_EQUAL_VEC(Vec3(-5.09774310e+02, 2.10742961e+01, 3.01814635e+02), forces1[862], tol);
ASSERT_EQUAL_VEC(Vec3(-9.75620816e+00, 7.12587243e+01, 9.37836693e+01), forces1[863], tol);
ASSERT_EQUAL_VEC(Vec3( 9.17385110e+01, -4.41182772e+02, -1.00398188e+02), forces1[864], tol);
ASSERT_EQUAL_VEC(Vec3(-2.52943928e+01, -1.90239695e+02, 4.81670302e+01), forces1[865], tol);
ASSERT_EQUAL_VEC(Vec3(-5.44266700e+02, 2.54811263e+02, -1.75181268e+02), forces1[866], tol);
ASSERT_EQUAL_VEC(Vec3( 4.08120113e+02, -1.23559887e+02, -2.06942160e+02), forces1[867], tol);
ASSERT_EQUAL_VEC(Vec3( 4.38405816e+02, -1.73677702e+02, 4.68119374e+02), forces1[868], tol);
ASSERT_EQUAL_VEC(Vec3(-3.66077262e+02, 3.32534980e+02, 2.43501977e+02), forces1[869], tol);
ASSERT_EQUAL_VEC(Vec3( 2.09710096e+02, 2.98077408e+02, -4.55256035e+02), forces1[870], tol);
ASSERT_EQUAL_VEC(Vec3( 4.70548055e+01, -8.03931446e+01, 1.44535738e+02), forces1[871], tol);
ASSERT_EQUAL_VEC(Vec3( 4.51389996e+01, -3.68239965e+02, 2.65390908e+02), forces1[872], tol);
ASSERT_EQUAL_VEC(Vec3(-2.22430692e+02, 4.99756041e+02, 1.50958469e+02), forces1[873], tol);
ASSERT_EQUAL_VEC(Vec3(-3.32911574e+02, 7.08248783e+02, -2.53293033e+02), forces1[874], tol);
ASSERT_EQUAL_VEC(Vec3(-2.24293564e+02, 3.61202816e+02, 3.14067039e+02), forces1[875], tol);
ASSERT_EQUAL_VEC(Vec3( 2.85994423e+01, 3.62421372e+02, -2.25792435e+01), forces1[876], tol);
ASSERT_EQUAL_VEC(Vec3( 3.25319985e+02, -8.59870785e+01, 6.05364581e+02), forces1[877], tol);
ASSERT_EQUAL_VEC(Vec3( 3.08171871e+02, 2.08420326e+02, -3.04923980e+02), forces1[878], tol);
ASSERT_EQUAL_VEC(Vec3( 3.65570529e+02, 1.38310252e+02, 2.10363363e+02), forces1[879], tol);
ASSERT_EQUAL_VEC(Vec3( 6.56661313e+01, 4.58001752e+02, -1.05217312e+02), forces1[880], tol);
ASSERT_EQUAL_VEC(Vec3(-7.04591192e+02, 1.95857268e+02, 6.29174462e+01), forces1[881], tol);
ASSERT_EQUAL_VEC(Vec3(-5.03143865e+02, -4.91096731e+02, 2.40904263e+00), forces1[882], tol);
ASSERT_EQUAL_VEC(Vec3(-6.84583679e+01, 8.09254534e+01, 2.50188730e+02), forces1[883], tol);
ASSERT_EQUAL_VEC(Vec3(-5.35217316e+01, 1.91746428e+02, -1.93678243e+02), forces1[884], tol);
ASSERT_EQUAL_VEC(Vec3( 5.56342532e+02, -6.69136606e+02, -2.99835083e+02), forces1[885], tol);
ASSERT_EQUAL_VEC(Vec3(-3.35801693e+02, 5.18603710e+01, -2.16409061e+02), forces1[886], tol);
ASSERT_EQUAL_VEC(Vec3(-1.13151480e+02, 6.23015348e+02, -1.73858304e+01), forces1[887], tol);
ASSERT_EQUAL_VEC(Vec3(-4.64256120e+02, -2.03157899e+02, 4.33730698e+02), forces1[888], tol);
ASSERT_EQUAL_VEC(Vec3( 5.74737750e+01, -4.61823893e+02, -4.22521242e+02), forces1[889], tol);
ASSERT_EQUAL_VEC(Vec3(-3.53693728e+02, 1.03991649e+02, 1.47435093e+02), forces1[890], tol);
ASSERT_EQUAL_VEC(Vec3( 9.55664834e+01, 4.15286634e+02, 1.37712413e+02), forces1[891], tol);
ASSERT_EQUAL_VEC(Vec3( 4.43136857e+02, -3.70066034e+01, -4.01965849e+02), forces1[892], tol);
ASSERT_EQUAL_VEC(Vec3( 1.26699422e+02, -2.55274151e+02, 1.49229513e+02), forces1[893], tol);
platforms/reference/tests/nacl_amorph_GromacsForcesPME.dat deleted 100644 → 0
View file @ b11af401
ASSERT_EQUAL_VEC(Vec3(-1.98238e+02, -2.23819e+02, -1.02566e+02), forces1[0], tol);
ASSERT_EQUAL_VEC(Vec3( 4.44029e+02, -3.90395e+02, -8.09590e+01), forces1[1], tol);
ASSERT_EQUAL_VEC(Vec3(-8.60870e+01, -1.05622e+01, -1.87777e+02), forces1[2], tol);
ASSERT_EQUAL_VEC(Vec3( 7.05375e+02, -1.69584e+02, 2.72477e+02), forces1[3], tol);
ASSERT_EQUAL_VEC(Vec3(-2.19351e+01, 5.33294e+02, -4.56194e+01), forces1[4], tol);
ASSERT_EQUAL_VEC(Vec3(-3.04277e+02, 2.02922e+02, 1.20245e+02), forces1[5], tol);
ASSERT_EQUAL_VEC(Vec3( 1.14214e+02, 1.21102e+02, 3.40941e+02), forces1[6], tol);
ASSERT_EQUAL_VEC(Vec3(-4.02332e+01, 3.78737e+02, 1.07247e+02), forces1[7], tol);
ASSERT_EQUAL_VEC(Vec3( 9.42963e+01, 1.00871e+01, 1.57706e+02), forces1[8], tol);
ASSERT_EQUAL_VEC(Vec3( 2.98432e+02, 1.18617e+02, -4.17515e+02), forces1[9], tol);
ASSERT_EQUAL_VEC(Vec3( 4.75037e+01, -5.56223e+00, -1.92343e+02), forces1[10], tol);
ASSERT_EQUAL_VEC(Vec3(-3.61212e+02, 4.00194e+02, -3.38480e+02), forces1[11], tol);
ASSERT_EQUAL_VEC(Vec3( 1.59872e+02, -2.22188e+02, -1.71809e+02), forces1[12], tol);
ASSERT_EQUAL_VEC(Vec3( 8.02097e+01, -2.46192e+02, 1.49732e+02), forces1[13], tol);
ASSERT_EQUAL_VEC(Vec3(-2.41490e+02, -8.22349e+01, -4.19816e+02), forces1[14], tol);
ASSERT_EQUAL_VEC(Vec3(-2.42760e+02, 4.99404e+00, 1.89251e+01), forces1[15], tol);
ASSERT_EQUAL_VEC(Vec3(-2.32033e+02, 2.91123e+02, -1.56148e+02), forces1[16], tol);
ASSERT_EQUAL_VEC(Vec3(-8.77282e+01, -4.75575e+02, -2.02740e+02), forces1[17], tol);
ASSERT_EQUAL_VEC(Vec3( 3.96090e+02, -6.37135e+02, 1.78663e+02), forces1[18], tol);
ASSERT_EQUAL_VEC(Vec3( 3.72230e+02, 1.17758e+02, 2.14245e+02), forces1[19], tol);
ASSERT_EQUAL_VEC(Vec3( 4.50070e+02, -1.37646e+01, 2.39932e+02), forces1[20], tol);
ASSERT_EQUAL_VEC(Vec3( 2.00016e+02, 3.30198e+01, 8.51831e+01), forces1[21], tol);
ASSERT_EQUAL_VEC(Vec3( 1.97199e+02, 7.33301e+02, 2.15197e+01), forces1[22], tol);
ASSERT_EQUAL_VEC(Vec3(-1.44369e+02, 9.15743e+01, 3.18981e+01), forces1[23], tol);
ASSERT_EQUAL_VEC(Vec3( 2.94560e+02, -3.69029e+02, 2.70469e+00), forces1[24], tol);
ASSERT_EQUAL_VEC(Vec3( 3.23107e+02, 8.86120e+02, 3.24425e+02), forces1[25], tol);
ASSERT_EQUAL_VEC(Vec3(-6.03139e+01, 1.68441e+02, 2.31890e+02), forces1[26], tol);
ASSERT_EQUAL_VEC(Vec3( 2.93353e+01, 5.76451e+01, 3.63994e+02), forces1[27], tol);
ASSERT_EQUAL_VEC(Vec3( 3.18489e-01, 1.34475e+02, -4.39831e+01), forces1[28], tol);
ASSERT_EQUAL_VEC(Vec3(-1.38709e+02, -2.99570e+02, -2.80326e+02), forces1[29], tol);
ASSERT_EQUAL_VEC(Vec3(-8.28155e+01, 4.40624e+02, 9.65531e+01), forces1[30], tol);
ASSERT_EQUAL_VEC(Vec3( 2.03774e+01, -4.37685e+01, -5.06727e+01), forces1[31], tol);
ASSERT_EQUAL_VEC(Vec3(-2.60759e+02, 3.70684e+02, 1.28621e+02), forces1[32], tol);
ASSERT_EQUAL_VEC(Vec3( 1.97964e+02, -1.52120e+01, -2.85728e+02), forces1[33], tol);
ASSERT_EQUAL_VEC(Vec3(-2.63683e+01, -1.29412e+01, -2.36630e+02), forces1[34], tol);
ASSERT_EQUAL_VEC(Vec3( 2.13607e+02, -2.29651e+02, -7.72846e+02), forces1[35], tol);
ASSERT_EQUAL_VEC(Vec3(-4.26326e+01, 9.00722e+01, 3.48806e+02), forces1[36], tol);
ASSERT_EQUAL_VEC(Vec3(-2.27760e+02, -8.49427e+00, -3.25568e+02), forces1[37], tol);
ASSERT_EQUAL_VEC(Vec3(-8.32014e+01, -2.50950e+02, 5.80192e+01), forces1[38], tol);
ASSERT_EQUAL_VEC(Vec3(-2.32232e+02, 1.30458e+02, 6.05363e+00), forces1[39], tol);
ASSERT_EQUAL_VEC(Vec3(-1.14431e+02, -3.48761e+01, -8.76148e+01), forces1[40], tol);
ASSERT_EQUAL_VEC(Vec3(-2.55342e+02, -2.79189e+02, -1.68749e+02), forces1[41], tol);
ASSERT_EQUAL_VEC(Vec3(-2.02321e+02, 1.47907e+02, 1.75227e+02), forces1[42], tol);
ASSERT_EQUAL_VEC(Vec3( 2.63248e+01, -4.46996e+02, -2.37737e+00), forces1[43], tol);
ASSERT_EQUAL_VEC(Vec3( 2.55965e+02, -2.93440e+02, 3.28023e+02), forces1[44], tol);
ASSERT_EQUAL_VEC(Vec3( 1.14323e+02, 2.24373e+02, -8.29717e+01), forces1[45], tol);
ASSERT_EQUAL_VEC(Vec3( 1.43347e+01, 2.46486e+02, -3.75145e+02), forces1[46], tol);
ASSERT_EQUAL_VEC(Vec3(-4.34804e+02, -9.73177e+01, -1.91079e+02), forces1[47], tol);
ASSERT_EQUAL_VEC(Vec3( 5.22940e+01, 5.50944e+02, 2.90237e+02), forces1[48], tol);
ASSERT_EQUAL_VEC(Vec3(-4.83950e+01, 1.71484e+02, -3.42302e+02), forces1[49], tol);
ASSERT_EQUAL_VEC(Vec3(-2.61453e+02, 9.01727e+01, 3.64102e+02), forces1[50], tol);
ASSERT_EQUAL_VEC(Vec3( 4.43627e+02, -5.19312e+02, -7.74800e+01), forces1[51], tol);
ASSERT_EQUAL_VEC(Vec3( 2.15597e+02, -5.54586e+02, 1.71365e+02), forces1[52], tol);
ASSERT_EQUAL_VEC(Vec3(-2.14777e+02, 3.56724e+02, -3.71997e+02), forces1[53], tol);
ASSERT_EQUAL_VEC(Vec3( 2.22118e+02, 2.73200e+02, 1.61950e+02), forces1[54], tol);
ASSERT_EQUAL_VEC(Vec3( 2.85119e+02, 3.19144e+02, -1.98761e+02), forces1[55], tol);
ASSERT_EQUAL_VEC(Vec3( 3.90047e+02, 5.91187e+02, 8.76052e+01), forces1[56], tol);
ASSERT_EQUAL_VEC(Vec3( 1.69067e+02, -9.43258e+01, 3.42177e+02), forces1[57], tol);
ASSERT_EQUAL_VEC(Vec3( 2.93040e+01, -1.03068e+02, 5.37913e+01), forces1[58], tol);
ASSERT_EQUAL_VEC(Vec3( 4.08998e+01, 1.30025e+02, -7.16616e+01), forces1[59], tol);
ASSERT_EQUAL_VEC(Vec3(-1.89925e+02, 5.51894e+00, 4.53550e+02), forces1[60], tol);
ASSERT_EQUAL_VEC(Vec3(-1.11554e+02, 1.24171e+02, 4.53012e+02), forces1[61], tol);
ASSERT_EQUAL_VEC(Vec3( 1.54597e+02, -2.70144e+02, -7.89501e+01), forces1[62], tol);
ASSERT_EQUAL_VEC(Vec3( 2.84029e+02, -8.89897e+01, 3.24511e+02), forces1[63], tol);
ASSERT_EQUAL_VEC(Vec3( 1.44360e+02, -7.96586e+01, -2.53245e+02), forces1[64], tol);
ASSERT_EQUAL_VEC(Vec3(-1.77734e+02, 8.42945e+01, -1.41070e+02), forces1[65], tol);
ASSERT_EQUAL_VEC(Vec3(-2.69652e+02, -5.26516e+02, -1.04064e+02), forces1[66], tol);
ASSERT_EQUAL_VEC(Vec3(-2.41602e+02, -9.41429e+01, 3.30147e+01), forces1[67], tol);
ASSERT_EQUAL_VEC(Vec3( 6.81069e+02, -5.79240e+02, -9.71642e-01), forces1[68], tol);
ASSERT_EQUAL_VEC(Vec3( 2.88769e+02, 2.41582e+02, -1.90685e+02), forces1[69], tol);
ASSERT_EQUAL_VEC(Vec3(-1.31603e+01, 1.14262e+01, 4.13776e+01), forces1[70], tol);
ASSERT_EQUAL_VEC(Vec3( 5.14411e+01, -9.72283e+01, 1.27245e+01), forces1[71], tol);
ASSERT_EQUAL_VEC(Vec3( 7.15737e+01, -1.94134e+02, -2.48980e+02), forces1[72], tol);
ASSERT_EQUAL_VEC(Vec3(-9.16921e+01, 1.23396e+02, -2.86180e+02), forces1[73], tol);
ASSERT_EQUAL_VEC(Vec3( 9.82499e+01, -7.07136e+01, -1.29192e+02), forces1[74], tol);
ASSERT_EQUAL_VEC(Vec3(-2.15576e+02, -1.43100e+02, -1.96438e+02), forces1[75], tol);
ASSERT_EQUAL_VEC(Vec3(-4.61162e+02, -4.03097e+02, -4.56028e+01), forces1[76], tol);
ASSERT_EQUAL_VEC(Vec3( 1.52885e+02, -9.37800e+02, 2.93600e+02), forces1[77], tol);
ASSERT_EQUAL_VEC(Vec3( 2.45711e+02, 1.99845e+01, 1.17917e+02), forces1[78], tol);
ASSERT_EQUAL_VEC(Vec3(-2.37050e+02, 2.49524e+02, 2.13426e+02), forces1[79], tol);
ASSERT_EQUAL_VEC(Vec3(-2.90554e+02, 1.91128e+02, -4.24254e+02), forces1[80], tol);
ASSERT_EQUAL_VEC(Vec3( 2.98841e+02, -5.76039e+00, 2.66632e+02), forces1[81], tol);
ASSERT_EQUAL_VEC(Vec3(-3.26781e+02, -2.54764e+02, -3.00077e+02), forces1[82], tol);
ASSERT_EQUAL_VEC(Vec3(-2.95144e+02, 1.21764e+02, -2.83475e+02), forces1[83], tol);
ASSERT_EQUAL_VEC(Vec3( 4.04598e+02, 1.66819e+02, -5.58132e+01), forces1[84], tol);
ASSERT_EQUAL_VEC(Vec3(-8.21664e+02, 5.19844e+02, 5.32043e+01), forces1[85], tol);
ASSERT_EQUAL_VEC(Vec3(-3.49444e+02, -1.47683e+02, -4.95512e+02), forces1[86], tol);
ASSERT_EQUAL_VEC(Vec3(-4.48878e+02, -7.41503e+01, -4.28596e+02), forces1[87], tol);
ASSERT_EQUAL_VEC(Vec3(-1.97044e+02, -3.40603e+02, 2.10204e+00), forces1[88], tol);
ASSERT_EQUAL_VEC(Vec3( 9.52481e+01, -4.20783e+02, 5.76746e+01), forces1[89], tol);
ASSERT_EQUAL_VEC(Vec3( 1.21807e+02, -1.40400e+02, -2.93285e+02), forces1[90], tol);
ASSERT_EQUAL_VEC(Vec3( 2.10629e+02, 5.88038e+01, 7.23663e+01), forces1[91], tol);
ASSERT_EQUAL_VEC(Vec3( 6.72915e+01, -1.46949e+02, -2.63710e+02), forces1[92], tol);
ASSERT_EQUAL_VEC(Vec3( 3.96779e+02, -4.38664e+02, -2.57916e+02), forces1[93], tol);
ASSERT_EQUAL_VEC(Vec3(-2.66189e+01, 1.59116e+01, 4.36637e+02), forces1[94], tol);
ASSERT_EQUAL_VEC(Vec3(-3.00015e+02, -6.20522e+01, -4.29146e+02), forces1[95], tol);
ASSERT_EQUAL_VEC(Vec3(-1.77047e+02, 5.58882e+01, 1.05674e+02), forces1[96], tol);
ASSERT_EQUAL_VEC(Vec3(-6.92728e+01, -5.45431e+02, -2.10884e+01), forces1[97], tol);
ASSERT_EQUAL_VEC(Vec3(-3.90061e+01, -1.21126e+02, 1.68310e+01), forces1[98], tol);
ASSERT_EQUAL_VEC(Vec3(-2.19576e+01, 1.51712e+02, -3.39292e+01), forces1[99], tol);
ASSERT_EQUAL_VEC(Vec3( 9.20478e+01, -4.22547e+02, -1.81073e+01), forces1[100], tol);
ASSERT_EQUAL_VEC(Vec3( 5.80549e+01, 1.45413e+02, -4.53187e+01), forces1[101], tol);
ASSERT_EQUAL_VEC(Vec3( 6.12578e+02, -1.41330e+01, 2.13583e+02), forces1[102], tol);
ASSERT_EQUAL_VEC(Vec3(-1.02947e+02, -8.76472e+01, 2.20906e+02), forces1[103], tol);
ASSERT_EQUAL_VEC(Vec3( 1.44800e+02, -2.89016e+02, 1.68141e+02), forces1[104], tol);
ASSERT_EQUAL_VEC(Vec3( 9.68802e+01, -2.62265e+02, -3.07293e+02), forces1[105], tol);
ASSERT_EQUAL_VEC(Vec3(-1.09044e+02, -2.43250e+02, -2.45232e+02), forces1[106], tol);
ASSERT_EQUAL_VEC(Vec3( 1.89553e+02, 1.49335e+02, -3.74288e+02), forces1[107], tol);
ASSERT_EQUAL_VEC(Vec3( 1.20770e+02, -1.66095e+02, -4.46390e+02), forces1[108], tol);
ASSERT_EQUAL_VEC(Vec3(-6.91040e+02, 6.62259e+02, 3.06075e+01), forces1[109], tol);
ASSERT_EQUAL_VEC(Vec3(-1.61286e+02, 8.89662e+01, -3.35508e+01), forces1[110], tol);
ASSERT_EQUAL_VEC(Vec3(-4.17337e+02, 4.26282e+01, -7.77221e+01), forces1[111], tol);
ASSERT_EQUAL_VEC(Vec3(-4.01777e+01, 8.24730e+01, 4.51851e+02), forces1[112], tol);
ASSERT_EQUAL_VEC(Vec3(-1.40974e+01, -2.40650e+02, -1.27611e+02), forces1[113], tol);
ASSERT_EQUAL_VEC(Vec3( 2.83838e+02, 2.31052e+02, 1.33440e+01), forces1[114], tol);
ASSERT_EQUAL_VEC(Vec3( 5.10743e+01, -7.13353e+02, -4.07609e+02), forces1[115], tol);
ASSERT_EQUAL_VEC(Vec3(-1.56084e+02, -1.33127e+02, 2.25953e+02), forces1[116], tol);
ASSERT_EQUAL_VEC(Vec3( 3.69751e+01, -1.35050e+01, 1.10570e+02), forces1[117], tol);
ASSERT_EQUAL_VEC(Vec3( 3.37822e+02, 8.10444e+01, -5.39664e+01), forces1[118], tol);
ASSERT_EQUAL_VEC(Vec3( 5.49925e+01, 7.55077e+01, 1.80537e+02), forces1[119], tol);
ASSERT_EQUAL_VEC(Vec3( 1.10959e+02, -3.83960e+02, 2.78081e+01), forces1[120], tol);
ASSERT_EQUAL_VEC(Vec3(-2.63191e+02, -3.16263e+02, -3.95227e+02), forces1[121], tol);
ASSERT_EQUAL_VEC(Vec3( 3.42551e+02, -2.35755e+02, 4.60349e+02), forces1[122], tol);
ASSERT_EQUAL_VEC(Vec3( 2.47660e+02, 2.42873e+02, 1.52219e+02), forces1[123], tol);
ASSERT_EQUAL_VEC(Vec3(-2.70208e+02, 2.08577e+02, -1.86857e+02), forces1[124], tol);
ASSERT_EQUAL_VEC(Vec3( 3.24091e+02, 2.55006e+02, -1.10874e+02), forces1[125], tol);
ASSERT_EQUAL_VEC(Vec3( 5.16198e+02, -5.06223e+01, -2.80862e+02), forces1[126], tol);
ASSERT_EQUAL_VEC(Vec3(-3.30850e+02, -3.47287e+02, 1.45245e+02), forces1[127], tol);
ASSERT_EQUAL_VEC(Vec3(-1.28351e+02, 7.69111e+01, 2.14899e+02), forces1[128], tol);
ASSERT_EQUAL_VEC(Vec3(-1.91475e+02, -2.11487e+02, 1.35327e+02), forces1[129], tol);
ASSERT_EQUAL_VEC(Vec3(-2.69888e+02, 1.11316e+02, -8.98475e+01), forces1[130], tol);
ASSERT_EQUAL_VEC(Vec3(-1.36356e+02, -2.14227e+02, -5.83946e+01), forces1[131], tol);
ASSERT_EQUAL_VEC(Vec3(-1.38558e+02, 2.36118e+02, -2.08878e+01), forces1[132], tol);
ASSERT_EQUAL_VEC(Vec3(-2.47603e+02, 3.98194e+02, -1.64773e+02), forces1[133], tol);
ASSERT_EQUAL_VEC(Vec3(-8.37474e+01, 4.07950e+02, -1.24164e+02), forces1[134], tol);
ASSERT_EQUAL_VEC(Vec3(-1.60152e+02, -6.50199e+00, 3.55060e+02), forces1[135], tol);
ASSERT_EQUAL_VEC(Vec3( 3.58257e+02, -2.81406e+02, -1.28029e+02), forces1[136], tol);
ASSERT_EQUAL_VEC(Vec3( 3.33746e+02, -3.31207e+02, -2.41567e+01), forces1[137], tol);
ASSERT_EQUAL_VEC(Vec3(-3.00677e+02, -1.70094e+02, 8.30774e+01), forces1[138], tol);
ASSERT_EQUAL_VEC(Vec3(-1.94848e+01, 1.35839e+02, -3.65168e+02), forces1[139], tol);
ASSERT_EQUAL_VEC(Vec3(-1.77179e+02, 4.44424e+01, 2.11476e+02), forces1[140], tol);
ASSERT_EQUAL_VEC(Vec3( 4.59288e+02, -3.23648e+02, 3.67802e+02), forces1[141], tol);
ASSERT_EQUAL_VEC(Vec3( 4.22135e+02, 2.22083e+02, 2.92481e+02), forces1[142], tol);
ASSERT_EQUAL_VEC(Vec3( 2.83734e+02, -2.92595e+02, 8.17914e+01), forces1[143], tol);
ASSERT_EQUAL_VEC(Vec3(-5.70476e+01, 2.40284e+02, -3.40876e+01), forces1[144], tol);
ASSERT_EQUAL_VEC(Vec3( 1.04088e+02, 1.58977e+02, 1.10182e+01), forces1[145], tol);
ASSERT_EQUAL_VEC(Vec3( 5.88504e+02, 2.07873e+02, -7.36857e+01), forces1[146], tol);
ASSERT_EQUAL_VEC(Vec3( 2.82644e+02, 2.25984e+02, 2.16741e+02), forces1[147], tol);
ASSERT_EQUAL_VEC(Vec3(-2.02425e+02, 1.65903e+02, -1.47473e+02), forces1[148], tol);
ASSERT_EQUAL_VEC(Vec3(-2.96634e+02, -4.87422e+02, 1.60837e+02), forces1[149], tol);
ASSERT_EQUAL_VEC(Vec3( 2.94716e+02, 1.30350e+02, 2.82786e+01), forces1[150], tol);
ASSERT_EQUAL_VEC(Vec3( 3.70883e+02, 3.22177e+01, 8.74457e+01), forces1[151], tol);
ASSERT_EQUAL_VEC(Vec3( 3.44000e+02, -2.07929e+02, 3.49059e+02), forces1[152], tol);
ASSERT_EQUAL_VEC(Vec3( 1.43030e+01, -2.80350e+02, 5.69624e+01), forces1[153], tol);
ASSERT_EQUAL_VEC(Vec3( 9.71900e+01, 1.42411e+01, 1.00140e+02), forces1[154], tol);
ASSERT_EQUAL_VEC(Vec3( 2.56963e+02, -1.88089e+01, -1.07623e+02), forces1[155], tol);
ASSERT_EQUAL_VEC(Vec3( 4.20295e+02, 1.16954e+02, 4.29566e+02), forces1[156], tol);
ASSERT_EQUAL_VEC(Vec3(-2.05593e+02, -2.74959e+02, 1.32855e+02), forces1[157], tol);
ASSERT_EQUAL_VEC(Vec3( 2.89209e+01, 1.07778e+01, -2.09463e+02), forces1[158], tol);
ASSERT_EQUAL_VEC(Vec3(-4.54593e+02, -2.58228e+01, -2.66965e+02), forces1[159], tol);
ASSERT_EQUAL_VEC(Vec3( 5.91052e+02, -7.76642e+01, 9.29134e+01), forces1[160], tol);
ASSERT_EQUAL_VEC(Vec3(-8.26339e+00, 2.39612e+02, 1.04877e+02), forces1[161], tol);
ASSERT_EQUAL_VEC(Vec3( 4.79939e+01, -1.73697e+02, -5.98017e+01), forces1[162], tol);
ASSERT_EQUAL_VEC(Vec3(-1.26010e+02, 1.64321e+02, -4.23292e+02), forces1[163], tol);
ASSERT_EQUAL_VEC(Vec3(-2.03195e+02, 1.46922e+02, 2.50713e+02), forces1[164], tol);
ASSERT_EQUAL_VEC(Vec3(-1.38811e+02, 1.32928e+02, 2.75566e+02), forces1[165], tol);
ASSERT_EQUAL_VEC(Vec3( 9.19090e+01, -1.55644e+02, 1.24224e+02), forces1[166], tol);
ASSERT_EQUAL_VEC(Vec3( 2.09934e+02, 1.26972e+02, -3.32816e+02), forces1[167], tol);
ASSERT_EQUAL_VEC(Vec3( 2.56192e+02, 6.10657e+00, 3.42782e+02), forces1[168], tol);
ASSERT_EQUAL_VEC(Vec3( 3.11423e+02, 9.42269e+01, -8.52675e+00), forces1[169], tol);
ASSERT_EQUAL_VEC(Vec3( 1.78684e+02, -1.37283e+01, -2.21919e+01), forces1[170], tol);
ASSERT_EQUAL_VEC(Vec3(-4.69160e+01, 5.77174e+02, 1.04228e+02), forces1[171], tol);
ASSERT_EQUAL_VEC(Vec3( 1.31260e+02, 7.57898e+01, -9.08328e+01), forces1[172], tol);
ASSERT_EQUAL_VEC(Vec3(-1.69432e+02, -3.62007e+02, 2.68885e+02), forces1[173], tol);
ASSERT_EQUAL_VEC(Vec3(-1.68470e+02, -2.62621e+02, 7.40996e+01), forces1[174], tol);
ASSERT_EQUAL_VEC(Vec3(-2.53156e+02, 2.68902e+02, -3.92489e+02), forces1[175], tol);
ASSERT_EQUAL_VEC(Vec3( 1.95127e+02, -5.76545e+01, 3.91956e+02), forces1[176], tol);
ASSERT_EQUAL_VEC(Vec3( 2.43341e+02, -3.91473e+02, -8.63941e+01), forces1[177], tol);
ASSERT_EQUAL_VEC(Vec3(-1.34182e+02, 1.46584e+02, 1.19870e+02), forces1[178], tol);
ASSERT_EQUAL_VEC(Vec3( 1.63164e+02, -2.66967e+02, 1.65791e+02), forces1[179], tol);
ASSERT_EQUAL_VEC(Vec3( 5.46590e+01, 6.58743e+01, -4.94241e+02), forces1[180], tol);
ASSERT_EQUAL_VEC(Vec3(-1.62967e+02, 1.53812e+02, 2.72243e+01), forces1[181], tol);
ASSERT_EQUAL_VEC(Vec3(-1.97753e+02, -9.07862e+01, -5.59637e+02), forces1[182], tol);
ASSERT_EQUAL_VEC(Vec3(-9.59328e+01, -3.67223e+02, -1.37096e+02), forces1[183], tol);
ASSERT_EQUAL_VEC(Vec3(-3.13273e+02, -4.77523e+02, -2.82321e+02), forces1[184], tol);
ASSERT_EQUAL_VEC(Vec3( 3.47114e+01, -1.51858e+02, -2.71784e+02), forces1[185], tol);
ASSERT_EQUAL_VEC(Vec3(-1.09989e+02, 7.60839e+01, -1.90745e+02), forces1[186], tol);
ASSERT_EQUAL_VEC(Vec3( 3.49591e+02, 1.52748e+02, 4.22478e+02), forces1[187], tol);
ASSERT_EQUAL_VEC(Vec3(-3.59778e+01, 3.55514e+01, -7.87122e+01), forces1[188], tol);
ASSERT_EQUAL_VEC(Vec3(-5.53788e+02, 1.58097e+02, -5.47413e+01), forces1[189], tol);
ASSERT_EQUAL_VEC(Vec3( 8.55383e+01, -2.88446e+02, 2.54335e+01), forces1[190], tol);
ASSERT_EQUAL_VEC(Vec3( 1.96776e+02, 1.69083e+02, 2.41079e+02), forces1[191], tol);
ASSERT_EQUAL_VEC(Vec3( 7.63954e+01, 3.05700e+02, 2.76177e+02), forces1[192], tol);
ASSERT_EQUAL_VEC(Vec3( 1.23270e+02, 8.57544e+01, 3.46732e+02), forces1[193], tol);
ASSERT_EQUAL_VEC(Vec3(-9.05524e+01, 5.50783e+01, -4.12477e+02), forces1[194], tol);
ASSERT_EQUAL_VEC(Vec3(-2.70275e+00, 1.30545e+02, -1.55114e+02), forces1[195], tol);
ASSERT_EQUAL_VEC(Vec3(-1.37391e+02, -2.94314e+02, -1.24617e+02), forces1[196], tol);
ASSERT_EQUAL_VEC(Vec3(-3.56081e+02, -9.03717e+01, 3.14903e+02), forces1[197], tol);
ASSERT_EQUAL_VEC(Vec3(-7.79201e+01, 1.12169e+02, 3.86360e+02), forces1[198], tol);
ASSERT_EQUAL_VEC(Vec3( 2.43084e+02, 5.36465e+02, -9.47472e+01), forces1[199], tol);
ASSERT_EQUAL_VEC(Vec3(-7.39515e+01, -3.53203e+02, 1.42906e+01), forces1[200], tol);
ASSERT_EQUAL_VEC(Vec3( 6.56525e+02, -2.80413e+02, 2.95738e+02), forces1[201], tol);
ASSERT_EQUAL_VEC(Vec3(-2.72295e+02, -1.44068e+02, 2.55682e+02), forces1[202], tol);
ASSERT_EQUAL_VEC(Vec3(-3.75581e+01, 2.99407e+02, -4.12452e+02), forces1[203], tol);
ASSERT_EQUAL_VEC(Vec3( 3.64683e+02, 3.39099e+02, -8.08627e+01), forces1[204], tol);
ASSERT_EQUAL_VEC(Vec3( 4.32794e+02, -1.78902e+02, 3.86635e+02), forces1[205], tol);
ASSERT_EQUAL_VEC(Vec3(-9.04431e+01, 3.89962e+02, -5.47942e+02), forces1[206], tol);
ASSERT_EQUAL_VEC(Vec3(-6.35047e+02, 1.85340e+01, 3.17100e+01), forces1[207], tol);
ASSERT_EQUAL_VEC(Vec3(-5.92927e+01, -2.85278e+02, -1.42336e+02), forces1[208], tol);
ASSERT_EQUAL_VEC(Vec3(-1.35200e+02, -3.56060e+02, 1.07958e+02), forces1[209], tol);
ASSERT_EQUAL_VEC(Vec3( 3.94881e+02, 9.99543e+01, -1.57851e+02), forces1[210], tol);
ASSERT_EQUAL_VEC(Vec3(-1.56550e+02, -1.66155e+02, -4.76763e+00), forces1[211], tol);
ASSERT_EQUAL_VEC(Vec3(-1.77273e+02, -9.51984e+01, -3.42047e+02), forces1[212], tol);
ASSERT_EQUAL_VEC(Vec3( 2.97728e+02, 7.18136e+02, -4.94807e+02), forces1[213], tol);
ASSERT_EQUAL_VEC(Vec3(-5.12783e+02, 7.63620e+02, -5.44394e+01), forces1[214], tol);
ASSERT_EQUAL_VEC(Vec3(-2.55726e+02, -4.46420e+02, -1.72489e+02), forces1[215], tol);
ASSERT_EQUAL_VEC(Vec3( 3.15171e+02, 5.62389e+02, 2.42576e+02), forces1[216], tol);
ASSERT_EQUAL_VEC(Vec3(-2.90712e+01, 3.91014e+02, 1.36611e+02), forces1[217], tol);
ASSERT_EQUAL_VEC(Vec3(-4.26378e+02, 5.13932e+02, 8.37934e+01), forces1[218], tol);
ASSERT_EQUAL_VEC(Vec3(-2.88401e+02, 6.41261e+01, 3.02429e+02), forces1[219], tol);
ASSERT_EQUAL_VEC(Vec3(-1.13219e+01, -3.20436e+02, 1.98720e+02), forces1[220], tol);
ASSERT_EQUAL_VEC(Vec3(-1.73195e+02, 2.09809e+02, 2.60748e+02), forces1[221], tol);
ASSERT_EQUAL_VEC(Vec3( 4.34172e+02, -1.25036e+02, 2.52922e+02), forces1[222], tol);
ASSERT_EQUAL_VEC(Vec3(-3.09527e+02, 2.63414e+02, -2.33511e+02), forces1[223], tol);
ASSERT_EQUAL_VEC(Vec3( 8.65417e+01, -5.32174e+02, -2.36445e+02), forces1[224], tol);
ASSERT_EQUAL_VEC(Vec3(-1.74956e+02, -2.30188e+02, -1.33696e+02), forces1[225], tol);
ASSERT_EQUAL_VEC(Vec3( 1.53827e+02, -1.24376e+02, -3.93704e+01), forces1[226], tol);
ASSERT_EQUAL_VEC(Vec3(-4.51770e+02, -7.75099e+01, -5.36164e+02), forces1[227], tol);
ASSERT_EQUAL_VEC(Vec3( 5.99182e+01, 2.97286e+02, 5.99064e+01), forces1[228], tol);
ASSERT_EQUAL_VEC(Vec3(-3.10611e+02, 2.95975e+00, -3.63666e+01), forces1[229], tol);
ASSERT_EQUAL_VEC(Vec3( 3.85866e+02, 1.41628e+02, 2.75110e+02), forces1[230], tol);
ASSERT_EQUAL_VEC(Vec3( 5.43212e+02, -3.20236e+02, -3.02040e+01), forces1[231], tol);
ASSERT_EQUAL_VEC(Vec3( 3.85594e+02, 6.64254e+01, -3.49438e+01), forces1[232], tol);
ASSERT_EQUAL_VEC(Vec3(-4.52870e+02, -3.40699e+02, 1.28895e+02), forces1[233], tol);
ASSERT_EQUAL_VEC(Vec3( 9.34274e+02, -1.39499e+02, 3.57860e+02), forces1[234], tol);
ASSERT_EQUAL_VEC(Vec3(-2.03059e+02, 7.44587e+01, 9.27241e+01), forces1[235], tol);
ASSERT_EQUAL_VEC(Vec3(-5.97529e+02, 1.26808e+02, 2.78892e+02), forces1[236], tol);
ASSERT_EQUAL_VEC(Vec3( 5.67859e+02, -5.34679e+02, -1.84220e+02), forces1[237], tol);
ASSERT_EQUAL_VEC(Vec3( 2.13200e+02, 2.99785e+02, -2.66449e+02), forces1[238], tol);
ASSERT_EQUAL_VEC(Vec3( 3.11287e+01, 4.54671e+02, 3.80933e+01), forces1[239], tol);
ASSERT_EQUAL_VEC(Vec3( 1.57505e+02, 3.19189e+01, -1.57725e+02), forces1[240], tol);
ASSERT_EQUAL_VEC(Vec3( 4.34917e+02, -4.69304e+02, -3.96804e+01), forces1[241], tol);
ASSERT_EQUAL_VEC(Vec3(-3.54012e+01, -1.00149e+02, 7.07594e+01), forces1[242], tol);
ASSERT_EQUAL_VEC(Vec3( 3.29664e+02, 3.63915e+02, -3.89187e+02), forces1[243], tol);
ASSERT_EQUAL_VEC(Vec3( 7.63973e+02, 2.97338e+02, -5.40126e+01), forces1[244], tol);
ASSERT_EQUAL_VEC(Vec3(-2.67921e+02, 2.23572e+02, -1.67260e+02), forces1[245], tol);
ASSERT_EQUAL_VEC(Vec3(-6.45303e+02, -9.38934e+00, -5.71083e+02), forces1[246], tol);
ASSERT_EQUAL_VEC(Vec3( 1.48206e+02, -1.78758e+02, 8.43606e+01), forces1[247], tol);
ASSERT_EQUAL_VEC(Vec3( 3.26733e+02, -3.84541e+02, 2.88339e+02), forces1[248], tol);
ASSERT_EQUAL_VEC(Vec3( 2.58355e+02, 5.43926e+01, 3.38657e+02), forces1[249], tol);
ASSERT_EQUAL_VEC(Vec3(-3.51580e+02, -3.06746e+02, -2.99583e+01), forces1[250], tol);
ASSERT_EQUAL_VEC(Vec3(-2.78564e+01, 2.36171e+02, 1.06051e+01), forces1[251], tol);
ASSERT_EQUAL_VEC(Vec3(-1.75884e+02, -9.36825e+00, 1.84217e+02), forces1[252], tol);
ASSERT_EQUAL_VEC(Vec3(-5.60414e+02, 1.90158e+02, -2.90241e+02), forces1[253], tol);
ASSERT_EQUAL_VEC(Vec3(-1.69419e+02, 2.23708e+02, -3.41993e+02), forces1[254], tol);
ASSERT_EQUAL_VEC(Vec3(-6.96442e+01, 1.66443e+02, -6.76290e+00), forces1[255], tol);
ASSERT_EQUAL_VEC(Vec3( 2.73634e+02, 1.47945e+00, 7.80674e+01), forces1[256], tol);
ASSERT_EQUAL_VEC(Vec3(-2.58360e+02, 8.46506e+01, -9.41941e+01), forces1[257], tol);
ASSERT_EQUAL_VEC(Vec3(-4.25856e+02, 9.84269e+00, 6.39688e+01), forces1[258], tol);
ASSERT_EQUAL_VEC(Vec3( 1.12074e+02, 6.10175e+01, -1.38671e+02), forces1[259], tol);
ASSERT_EQUAL_VEC(Vec3( 3.21742e+01, 3.67503e+02, 6.86820e+01), forces1[260], tol);
ASSERT_EQUAL_VEC(Vec3(-3.72197e+02, 3.36299e+02, 3.15267e+02), forces1[261], tol);
ASSERT_EQUAL_VEC(Vec3( 4.28544e+01, 5.93439e+01, 4.86904e+02), forces1[262], tol);
ASSERT_EQUAL_VEC(Vec3( 3.03218e+01, 3.70289e+02, -5.83427e+02), forces1[263], tol);
ASSERT_EQUAL_VEC(Vec3(-1.61746e+02, 3.70556e+02, -2.03554e+01), forces1[264], tol);
ASSERT_EQUAL_VEC(Vec3(-6.67228e+02, -1.24405e+01, -9.41848e+01), forces1[265], tol);
ASSERT_EQUAL_VEC(Vec3( 4.66963e+02, 3.49517e+02, 2.04653e+02), forces1[266], tol);
ASSERT_EQUAL_VEC(Vec3(-3.52489e+02, -1.24054e+01, 2.24698e+01), forces1[267], tol);
ASSERT_EQUAL_VEC(Vec3( 4.58673e+01, -2.20882e+02, 7.64532e+01), forces1[268], tol);
ASSERT_EQUAL_VEC(Vec3(-4.43759e+01, -1.14901e+02, -2.87908e+02), forces1[269], tol);
ASSERT_EQUAL_VEC(Vec3(-9.22294e+01, 6.40897e+02, 3.17837e+02), forces1[270], tol);
ASSERT_EQUAL_VEC(Vec3(-2.15619e+02, -2.05476e+02, 6.85753e+01), forces1[271], tol);
ASSERT_EQUAL_VEC(Vec3( 2.24210e+02, -1.43086e+02, -4.17853e+01), forces1[272], tol);
ASSERT_EQUAL_VEC(Vec3( 1.79801e+02, -3.72431e+02, 2.12152e+02), forces1[273], tol);
ASSERT_EQUAL_VEC(Vec3( 9.74712e+01, 7.66879e+01, -5.04532e+02), forces1[274], tol);
ASSERT_EQUAL_VEC(Vec3( 2.17851e+01, -5.76193e+02, -3.23925e+02), forces1[275], tol);
ASSERT_EQUAL_VEC(Vec3(-2.97069e+02, -1.47147e+02, -1.56571e+02), forces1[276], tol);
ASSERT_EQUAL_VEC(Vec3( 4.21716e+01, -2.91447e+02, -1.50265e+02), forces1[277], tol);
ASSERT_EQUAL_VEC(Vec3( 1.75434e+02, -9.12760e+01, 6.45501e+01), forces1[278], tol);
ASSERT_EQUAL_VEC(Vec3( 1.50375e+02, -1.42450e+02, 2.67953e+02), forces1[279], tol);
ASSERT_EQUAL_VEC(Vec3(-4.86647e+02, -2.18743e+01, 1.45714e+02), forces1[280], tol);
ASSERT_EQUAL_VEC(Vec3( 9.28419e+01, -6.94980e+01, -8.90565e+00), forces1[281], tol);
ASSERT_EQUAL_VEC(Vec3(-5.85243e+01, 2.84897e+02, 4.82514e+02), forces1[282], tol);
ASSERT_EQUAL_VEC(Vec3(-2.83552e+01, -1.73734e+02, -3.77885e+02), forces1[283], tol);
ASSERT_EQUAL_VEC(Vec3(-4.34939e+02, -1.30344e+02, -3.31885e+02), forces1[284], tol);
ASSERT_EQUAL_VEC(Vec3( 3.85318e+01, -2.54993e+02, -5.18580e+02), forces1[285], tol);
ASSERT_EQUAL_VEC(Vec3(-7.78898e+01, 1.25376e+02, -3.80651e+02), forces1[286], tol);
ASSERT_EQUAL_VEC(Vec3(-1.27219e+02, 3.88677e+02, 9.40603e+01), forces1[287], tol);
ASSERT_EQUAL_VEC(Vec3( 1.39438e+02, 4.03527e+02, -4.33294e+02), forces1[288], tol);
ASSERT_EQUAL_VEC(Vec3(-2.88829e+00, -2.06320e+02, -7.48585e+02), forces1[289], tol);
ASSERT_EQUAL_VEC(Vec3( 1.07981e+01, 2.35861e+02, -1.38359e+02), forces1[290], tol);
ASSERT_EQUAL_VEC(Vec3( 8.60284e+01, 5.74943e+02, 1.95762e+02), forces1[291], tol);
ASSERT_EQUAL_VEC(Vec3(-2.45605e+02, 1.95528e+02, 1.22031e+02), forces1[292], tol);
ASSERT_EQUAL_VEC(Vec3(-3.33844e+02, -2.71363e+02, -3.43370e+02), forces1[293], tol);
ASSERT_EQUAL_VEC(Vec3(-4.28638e+02, 1.60891e+02, 2.18049e+02), forces1[294], tol);
ASSERT_EQUAL_VEC(Vec3(-5.40059e+02, -1.47441e+02, 4.35219e+02), forces1[295], tol);
ASSERT_EQUAL_VEC(Vec3( 1.48834e+02, 3.45734e+01, -1.25812e+02), forces1[296], tol);
ASSERT_EQUAL_VEC(Vec3( 3.39094e+02, 3.68778e+01, 2.99734e+01), forces1[297], tol);
ASSERT_EQUAL_VEC(Vec3(-1.67733e+02, -2.84609e+02, 3.88550e+01), forces1[298], tol);
ASSERT_EQUAL_VEC(Vec3(-3.21477e+02, -4.49303e+02, 1.41885e+02), forces1[299], tol);
ASSERT_EQUAL_VEC(Vec3( 1.16243e+02, 6.78513e+00, -1.08225e+02), forces1[300], tol);
ASSERT_EQUAL_VEC(Vec3(-1.85556e+02, -2.95254e+02, 5.01916e+02), forces1[301], tol);
ASSERT_EQUAL_VEC(Vec3( 9.27468e+01, -3.83936e+02, -2.77959e+02), forces1[302], tol);
ASSERT_EQUAL_VEC(Vec3(-3.97651e+01, 2.84541e+02, 2.33443e+02), forces1[303], tol);
ASSERT_EQUAL_VEC(Vec3( 1.40072e+00, 2.25399e+02, 9.48102e+01), forces1[304], tol);
ASSERT_EQUAL_VEC(Vec3( 1.06096e+02, 2.06345e+02, -2.00217e+02), forces1[305], tol);
ASSERT_EQUAL_VEC(Vec3(-3.33985e+02, -3.09147e+01, -9.24046e+01), forces1[306], tol);
ASSERT_EQUAL_VEC(Vec3( 1.47346e+01, 1.47720e+02, 2.61218e+02), forces1[307], tol);
ASSERT_EQUAL_VEC(Vec3( 4.44221e+01, 1.15106e+02, 1.21336e+02), forces1[308], tol);
ASSERT_EQUAL_VEC(Vec3(-2.53468e+02, 2.00343e+02, 3.39205e+01), forces1[309], tol);
ASSERT_EQUAL_VEC(Vec3( 1.06608e+02, -1.16082e+02, 5.96468e+01), forces1[310], tol);
ASSERT_EQUAL_VEC(Vec3(-2.01600e+02, 4.15917e+01, 4.19308e+02), forces1[311], tol);
ASSERT_EQUAL_VEC(Vec3( 4.40503e+02, 1.34424e+02, 7.74282e+01), forces1[312], tol);
ASSERT_EQUAL_VEC(Vec3(-3.89154e+02, -2.83347e+02, -4.23560e+02), forces1[313], tol);
ASSERT_EQUAL_VEC(Vec3( 2.42086e+02, -6.45962e+02, 3.91500e+02), forces1[314], tol);
ASSERT_EQUAL_VEC(Vec3(-3.71539e+02, -4.53999e+01, 5.02838e+02), forces1[315], tol);
ASSERT_EQUAL_VEC(Vec3(-3.52594e+02, 8.61216e+01, 2.63794e+02), forces1[316], tol);
ASSERT_EQUAL_VEC(Vec3( 2.18403e+01, -1.24903e+02, -2.32014e+02), forces1[317], tol);
ASSERT_EQUAL_VEC(Vec3(-4.28776e+02, 2.69290e+02, -1.63292e+02), forces1[318], tol);
ASSERT_EQUAL_VEC(Vec3( 6.90376e+01, 2.01126e+02, -1.25394e+02), forces1[319], tol);
ASSERT_EQUAL_VEC(Vec3( 4.43084e+01, -1.48482e+02, 9.25935e+01), forces1[320], tol);
ASSERT_EQUAL_VEC(Vec3(-3.53044e+01, 1.28686e+02, -3.63353e+02), forces1[321], tol);
ASSERT_EQUAL_VEC(Vec3(-5.24106e+02, -9.42773e+01, 1.18349e+01), forces1[322], tol);
ASSERT_EQUAL_VEC(Vec3( 2.26116e+02, 3.21645e+02, -3.90520e+02), forces1[323], tol);
ASSERT_EQUAL_VEC(Vec3( 3.59470e+01, -3.07422e+02, -5.38345e+01), forces1[324], tol);
ASSERT_EQUAL_VEC(Vec3(-1.17162e+02, 2.29578e+02, 1.57257e+02), forces1[325], tol);
ASSERT_EQUAL_VEC(Vec3(-9.86447e+01, -2.13510e+02, 9.34945e+01), forces1[326], tol);
ASSERT_EQUAL_VEC(Vec3( 2.32239e+02, 6.06792e+01, -3.57488e+02), forces1[327], tol);
ASSERT_EQUAL_VEC(Vec3(-4.16208e+01, 1.12534e+02, -2.00673e+02), forces1[328], tol);
ASSERT_EQUAL_VEC(Vec3(-5.14797e+01, 2.96279e+02, 3.68486e+02), forces1[329], tol);
ASSERT_EQUAL_VEC(Vec3( 1.02087e+02, -9.70760e+01, 3.02447e+01), forces1[330], tol);
ASSERT_EQUAL_VEC(Vec3(-1.03773e+02, -1.54768e+02, 2.10252e+02), forces1[331], tol);
ASSERT_EQUAL_VEC(Vec3( 1.90526e+02, 6.04195e+01, -9.59270e+01), forces1[332], tol);
ASSERT_EQUAL_VEC(Vec3(-1.16808e+02, -5.22817e+02, 5.66574e+02), forces1[333], tol);
ASSERT_EQUAL_VEC(Vec3( 2.18109e+02, -1.37414e+02, 1.53024e+02), forces1[334], tol);
ASSERT_EQUAL_VEC(Vec3(-9.04344e+01, -1.47623e+02, 8.89515e+01), forces1[335], tol);
ASSERT_EQUAL_VEC(Vec3( 2.10214e+01, -2.05509e+02, 1.26834e+02), forces1[336], tol);
ASSERT_EQUAL_VEC(Vec3(-1.68046e+02, -2.97773e+02, -1.20748e+02), forces1[337], tol);
ASSERT_EQUAL_VEC(Vec3( 3.99130e+02, 2.95164e+02, 3.91133e+02), forces1[338], tol);
ASSERT_EQUAL_VEC(Vec3( 6.84897e+02, -2.36112e+02, 3.42241e+02), forces1[339], tol);
ASSERT_EQUAL_VEC(Vec3(-1.26674e+02, 1.75741e+02, 1.84784e+02), forces1[340], tol);
ASSERT_EQUAL_VEC(Vec3(-1.32552e+01, 4.13616e+01, -7.24209e+01), forces1[341], tol);
ASSERT_EQUAL_VEC(Vec3(-2.77910e+02, 3.10252e+02, 1.84772e+01), forces1[342], tol);
ASSERT_EQUAL_VEC(Vec3( 1.17751e+02, 2.88285e+02, 2.83196e+02), forces1[343], tol);
ASSERT_EQUAL_VEC(Vec3(-2.14324e+01, 5.21203e+02, 1.00240e+02), forces1[344], tol);
ASSERT_EQUAL_VEC(Vec3( 1.24356e+02, -1.12357e+02, 2.11950e+02), forces1[345], tol);
ASSERT_EQUAL_VEC(Vec3( 6.49096e+00, 2.20316e+02, -3.03863e+02), forces1[346], tol);
ASSERT_EQUAL_VEC(Vec3( 3.27054e+02, 1.14349e+02, 4.53346e+02), forces1[347], tol);
ASSERT_EQUAL_VEC(Vec3( 3.89302e+01, 3.55284e+02, 2.25739e+01), forces1[348], tol);
ASSERT_EQUAL_VEC(Vec3(-2.25217e+02, -2.30560e+02, -2.32663e+02), forces1[349], tol);
ASSERT_EQUAL_VEC(Vec3(-4.40572e+02, -4.18868e+01, -8.73193e+01), forces1[350], tol);
ASSERT_EQUAL_VEC(Vec3( 2.03285e+02, -7.41876e+01, -3.11213e+02), forces1[351], tol);
ASSERT_EQUAL_VEC(Vec3( 3.14048e+02, -4.52169e+01, 1.15684e+02), forces1[352], tol);
ASSERT_EQUAL_VEC(Vec3(-3.05766e+02, -8.44138e+01, 2.77051e+02), forces1[353], tol);
ASSERT_EQUAL_VEC(Vec3( 6.03142e+02, 7.49854e+01, 1.08102e+02), forces1[354], tol);
ASSERT_EQUAL_VEC(Vec3( 1.19382e+02, 3.21995e+02, 1.19502e+01), forces1[355], tol);
ASSERT_EQUAL_VEC(Vec3( 1.06924e+02, 2.87624e+01, 2.37383e+02), forces1[356], tol);
ASSERT_EQUAL_VEC(Vec3( 3.21440e+02, -7.92932e+02, 4.18479e+01), forces1[357], tol);
ASSERT_EQUAL_VEC(Vec3(-1.08675e+02, 2.36719e+02, -5.75404e+02), forces1[358], tol);
ASSERT_EQUAL_VEC(Vec3(-1.53731e+02, -4.66587e+02, 3.71577e+02), forces1[359], tol);
ASSERT_EQUAL_VEC(Vec3(-1.56295e+02, -8.97020e+01, -3.26310e+02), forces1[360], tol);
ASSERT_EQUAL_VEC(Vec3( 3.42777e+02, -3.18031e+01, -4.08905e+02), forces1[361], tol);
ASSERT_EQUAL_VEC(Vec3( 1.47602e+02, 4.76918e+02, 4.19650e+01), forces1[362], tol);
ASSERT_EQUAL_VEC(Vec3( 6.19970e-01, -4.13644e+01, 4.39906e+02), forces1[363], tol);
ASSERT_EQUAL_VEC(Vec3(-2.56834e+02, -1.83029e+02, 5.99876e+01), forces1[364], tol);
ASSERT_EQUAL_VEC(Vec3( 2.48250e+02, 5.50128e+01, -1.55098e+01), forces1[365], tol);
ASSERT_EQUAL_VEC(Vec3(-1.93630e+02, -1.86414e+01, 6.10783e-01), forces1[366], tol);
ASSERT_EQUAL_VEC(Vec3(-1.63225e+02, 1.90017e+02, -4.93447e+02), forces1[367], tol);
ASSERT_EQUAL_VEC(Vec3(-2.85285e+01, -4.66015e+02, -2.10844e+02), forces1[368], tol);
ASSERT_EQUAL_VEC(Vec3( 2.27175e+02, 1.52519e+01, -1.64037e+02), forces1[369], tol);
ASSERT_EQUAL_VEC(Vec3(-1.07158e+02, 2.01372e+01, 6.04946e+01), forces1[370], tol);
ASSERT_EQUAL_VEC(Vec3( 2.41288e+02, 4.05688e+02, -8.71414e+01), forces1[371], tol);
ASSERT_EQUAL_VEC(Vec3( 1.33810e+02, 1.72165e+02, -1.15347e+02), forces1[372], tol);
ASSERT_EQUAL_VEC(Vec3( 4.19305e+02, -4.68244e+02, -3.30524e+02), forces1[373], tol);
ASSERT_EQUAL_VEC(Vec3(-1.88000e+02, -2.43516e+02, 8.87125e+01), forces1[374], tol);
ASSERT_EQUAL_VEC(Vec3( 1.54008e+02, 2.52337e+02, 1.76385e+02), forces1[375], tol);
ASSERT_EQUAL_VEC(Vec3(-1.10634e+02, 3.33134e+01, 1.23764e+02), forces1[376], tol);
ASSERT_EQUAL_VEC(Vec3( 1.64797e+02, 8.89785e-01, 1.56187e+02), forces1[377], tol);
ASSERT_EQUAL_VEC(Vec3(-1.65397e+02, -1.50246e+02, 2.41784e+02), forces1[378], tol);
ASSERT_EQUAL_VEC(Vec3( 4.78079e+02, -2.36417e+02, 4.04919e+02), forces1[379], tol);
ASSERT_EQUAL_VEC(Vec3(-2.33373e+02, -7.47052e+02, 1.09725e+02), forces1[380], tol);
ASSERT_EQUAL_VEC(Vec3( 1.09374e+02, -3.37524e+02, 1.99891e+02), forces1[381], tol);
ASSERT_EQUAL_VEC(Vec3( 1.45367e+02, 1.34685e+02, 3.46407e+02), forces1[382], tol);
ASSERT_EQUAL_VEC(Vec3(-8.86795e+01, 1.70743e+02, 1.86635e+02), forces1[383], tol);
ASSERT_EQUAL_VEC(Vec3( 1.03271e+02, -2.54982e+02, -2.04505e+01), forces1[384], tol);
ASSERT_EQUAL_VEC(Vec3(-5.06120e+02, -3.72063e+02, 9.10667e+01), forces1[385], tol);
ASSERT_EQUAL_VEC(Vec3( 4.33821e+02, 5.30907e+02, 1.18197e+02), forces1[386], tol);
ASSERT_EQUAL_VEC(Vec3(-3.34808e+02, 2.29883e+02, 1.73589e+02), forces1[387], tol);
ASSERT_EQUAL_VEC(Vec3(-3.27223e+00, 3.50940e+02, -5.66750e+00), forces1[388], tol);
ASSERT_EQUAL_VEC(Vec3(-3.18249e+02, -4.16016e+02, 3.93821e+00), forces1[389], tol);
ASSERT_EQUAL_VEC(Vec3(-9.01726e+01, -2.83141e+02, -1.78609e+02), forces1[390], tol);
ASSERT_EQUAL_VEC(Vec3(-1.86960e+02, 2.96534e+02, -1.29666e+02), forces1[391], tol);
ASSERT_EQUAL_VEC(Vec3(-7.78140e+02, 3.37747e+02, 2.46235e+02), forces1[392], tol);
ASSERT_EQUAL_VEC(Vec3(-4.88292e+02, -3.62809e+02, 1.09196e+02), forces1[393], tol);
ASSERT_EQUAL_VEC(Vec3( 1.68815e+02, -1.54070e+02, 2.44122e+02), forces1[394], tol);
ASSERT_EQUAL_VEC(Vec3( 8.59883e+01, -4.73417e+02, 1.81318e+02), forces1[395], tol);
ASSERT_EQUAL_VEC(Vec3(-5.15453e+01, 3.80575e+01, 1.48501e+02), forces1[396], tol);
ASSERT_EQUAL_VEC(Vec3( 4.40890e+02, -9.36667e+01, 2.19946e+02), forces1[397], tol);
ASSERT_EQUAL_VEC(Vec3( 4.55989e+01, 5.74616e+02, -5.74981e+01), forces1[398], tol);
ASSERT_EQUAL_VEC(Vec3( 1.07793e+02, -3.19752e+02, 1.16186e+01), forces1[399], tol);
ASSERT_EQUAL_VEC(Vec3(-1.73817e+02, -1.72672e+02, 3.26164e+02), forces1[400], tol);
ASSERT_EQUAL_VEC(Vec3(-4.48594e+02, -4.95425e+02, -1.37767e+02), forces1[401], tol);
ASSERT_EQUAL_VEC(Vec3( 1.43480e+02, -7.71741e+01, 1.27160e+02), forces1[402], tol);
ASSERT_EQUAL_VEC(Vec3( 1.26017e+02, -3.81397e+02, -2.85760e+02), forces1[403], tol);
ASSERT_EQUAL_VEC(Vec3(-2.53035e+02, -2.67890e+02, 1.51840e+02), forces1[404], tol);
ASSERT_EQUAL_VEC(Vec3(-1.01060e+02, -1.79828e+02, -2.05754e+02), forces1[405], tol);
ASSERT_EQUAL_VEC(Vec3( 1.32075e+02, -2.56994e+02, -4.06095e+02), forces1[406], tol);
ASSERT_EQUAL_VEC(Vec3( 5.49913e+01, 5.21043e+01, -2.40692e+01), forces1[407], tol);
ASSERT_EQUAL_VEC(Vec3(-3.04198e+01, -3.45366e+02, 3.52724e+02), forces1[408], tol);
ASSERT_EQUAL_VEC(Vec3( 5.76204e+02, 2.51419e+02, -2.05669e+02), forces1[409], tol);
ASSERT_EQUAL_VEC(Vec3(-5.46249e+02, -3.81508e+01, 1.55947e+02), forces1[410], tol);
ASSERT_EQUAL_VEC(Vec3(-1.00739e+02, 2.13319e+02, 3.33076e+02), forces1[411], tol);
ASSERT_EQUAL_VEC(Vec3( 8.00363e+01, 1.85321e+02, -4.43381e+02), forces1[412], tol);
ASSERT_EQUAL_VEC(Vec3(-1.53965e+02, 1.76341e+01, 5.07046e+01), forces1[413], tol);
ASSERT_EQUAL_VEC(Vec3(-2.54115e+01, -1.01737e+02, -1.47105e+02), forces1[414], tol);
ASSERT_EQUAL_VEC(Vec3(-2.53030e+02, 2.89729e+02, -1.78282e+02), forces1[415], tol);
ASSERT_EQUAL_VEC(Vec3(-1.30262e+02, -4.66600e+02, -3.53368e+02), forces1[416], tol);
ASSERT_EQUAL_VEC(Vec3( 1.82473e+02, 3.77989e+02, 1.90480e+02), forces1[417], tol);
ASSERT_EQUAL_VEC(Vec3(-2.59797e+02, 3.29719e+02, 3.93445e+02), forces1[418], tol);
ASSERT_EQUAL_VEC(Vec3(-1.08424e+01, -5.30928e+02, -1.53190e+01), forces1[419], tol);
ASSERT_EQUAL_VEC(Vec3(-3.27758e+01, -3.45905e+02, -1.45609e+02), forces1[420], tol);
ASSERT_EQUAL_VEC(Vec3(-1.92427e+02, 3.70108e+00, -1.26539e+02), forces1[421], tol);
ASSERT_EQUAL_VEC(Vec3( 2.61433e+02, -1.63237e+02, -1.22721e+02), forces1[422], tol);
ASSERT_EQUAL_VEC(Vec3(-1.42907e+02, 4.15425e+02, 5.04223e+02), forces1[423], tol);
ASSERT_EQUAL_VEC(Vec3( 3.36579e+02, -1.06048e+02, 4.54179e+02), forces1[424], tol);
ASSERT_EQUAL_VEC(Vec3(-2.32219e+02, -1.84431e+00, 4.48455e+01), forces1[425], tol);
ASSERT_EQUAL_VEC(Vec3( 4.12408e+02, -5.04695e+02, 4.00897e+02), forces1[426], tol);
ASSERT_EQUAL_VEC(Vec3(-1.54644e+02, -2.68563e+02, -1.53010e+01), forces1[427], tol);
ASSERT_EQUAL_VEC(Vec3( 2.69725e+02, 2.18578e+02, -1.75382e+02), forces1[428], tol);
ASSERT_EQUAL_VEC(Vec3(-1.77257e+01, -4.66563e+01, 6.24304e+01), forces1[429], tol);
ASSERT_EQUAL_VEC(Vec3(-1.29886e+02, 8.07543e+01, 1.84899e+01), forces1[430], tol);
ASSERT_EQUAL_VEC(Vec3( 1.76179e+02, -3.20023e+02, -2.47777e+02), forces1[431], tol);
ASSERT_EQUAL_VEC(Vec3(-1.68173e+02, 2.05763e+02, -1.17388e+02), forces1[432], tol);
ASSERT_EQUAL_VEC(Vec3(-1.93371e+02, 7.76884e+01, -1.60936e+02), forces1[433], tol);
ASSERT_EQUAL_VEC(Vec3(-8.97869e+01, 2.56574e+02, -3.94708e+02), forces1[434], tol);
ASSERT_EQUAL_VEC(Vec3(-2.33025e+02, 9.53235e+01, 3.02990e+02), forces1[435], tol);
ASSERT_EQUAL_VEC(Vec3( 4.34327e+01, -4.44348e+02, -5.00356e+00), forces1[436], tol);
ASSERT_EQUAL_VEC(Vec3( 3.32045e+02, -4.10887e+02, -6.13802e+01), forces1[437], tol);
ASSERT_EQUAL_VEC(Vec3(-1.45947e+02, -2.28307e+02, -2.99015e+02), forces1[438], tol);
ASSERT_EQUAL_VEC(Vec3(-1.38554e+02, -1.27402e+02, -2.93859e+02), forces1[439], tol);
ASSERT_EQUAL_VEC(Vec3( 2.97418e+02, 3.38266e+02, -2.14828e+02), forces1[440], tol);
ASSERT_EQUAL_VEC(Vec3( 2.49417e+01, 1.88462e+02, -8.02993e+01), forces1[441], tol);
ASSERT_EQUAL_VEC(Vec3(-1.32440e+02, -3.86535e+02, -6.70018e+01), forces1[442], tol);
ASSERT_EQUAL_VEC(Vec3( 1.84581e+01, 2.24810e+02, -1.36951e+02), forces1[443], tol);
ASSERT_EQUAL_VEC(Vec3( 2.15314e+02, 1.06097e+02, -1.25729e+02), forces1[444], tol);
ASSERT_EQUAL_VEC(Vec3( 3.07808e+02, 4.34344e+02, 2.17287e+01), forces1[445], tol);
ASSERT_EQUAL_VEC(Vec3( 8.08473e+00, 4.99811e+01, -3.14217e+02), forces1[446], tol);
ASSERT_EQUAL_VEC(Vec3( 1.36944e+03, 6.44821e+02, -3.85099e+02), forces1[447], tol);
ASSERT_EQUAL_VEC(Vec3( 3.32220e+02, -1.04207e+02, -4.08594e+02), forces1[448], tol);
ASSERT_EQUAL_VEC(Vec3( 3.73256e+02, 2.70963e+02, 3.80703e+02), forces1[449], tol);
ASSERT_EQUAL_VEC(Vec3(-2.09802e+02, 4.29907e+02, 8.40858e+02), forces1[450], tol);
ASSERT_EQUAL_VEC(Vec3(-3.48550e+02, -3.63122e+02, 5.10367e+02), forces1[451], tol);
ASSERT_EQUAL_VEC(Vec3(-3.29139e+00, 4.63314e-01, -6.04797e+00), forces1[452], tol);
ASSERT_EQUAL_VEC(Vec3( 3.83320e+01, 3.59803e+02, 8.67059e+02), forces1[453], tol);
ASSERT_EQUAL_VEC(Vec3(-1.57402e+02, 5.68721e+02, -1.87722e+02), forces1[454], tol);
ASSERT_EQUAL_VEC(Vec3( 4.16157e+02, 5.83052e+01, -5.75714e+02), forces1[455], tol);
ASSERT_EQUAL_VEC(Vec3( 2.58777e+02, -1.00684e+02, -4.43414e+02), forces1[456], tol);
ASSERT_EQUAL_VEC(Vec3( 1.38944e+02, 4.93487e+02, 9.06788e+02), forces1[457], tol);
ASSERT_EQUAL_VEC(Vec3(-4.81206e+01, 9.53313e+02, -1.83923e+02), forces1[458], tol);
ASSERT_EQUAL_VEC(Vec3( 6.64525e+02, -3.77318e+02, 1.93095e+02), forces1[459], tol);
ASSERT_EQUAL_VEC(Vec3( 8.34571e+01, 1.77786e+02, 4.70682e+02), forces1[460], tol);
ASSERT_EQUAL_VEC(Vec3( 9.98937e+02, -3.98574e+02, 9.83608e+02), forces1[461], tol);
ASSERT_EQUAL_VEC(Vec3(-5.06594e+02, -4.10896e+01, 4.75194e+02), forces1[462], tol);
ASSERT_EQUAL_VEC(Vec3(-7.58517e+01, 1.45227e+02, 4.52920e+01), forces1[463], tol);
ASSERT_EQUAL_VEC(Vec3(-1.13510e+02, 5.29893e+02, -3.00930e+02), forces1[464], tol);
ASSERT_EQUAL_VEC(Vec3(-1.46460e+02, -3.86625e+02, -6.42393e+02), forces1[465], tol);
ASSERT_EQUAL_VEC(Vec3(-2.70142e+02, 3.67184e+02, -1.78825e+02), forces1[466], tol);
ASSERT_EQUAL_VEC(Vec3(-1.23818e+02, -1.77327e+02, 2.37348e+02), forces1[467], tol);
ASSERT_EQUAL_VEC(Vec3(-4.94038e+02, 1.34882e+02, 6.98769e+02), forces1[468], tol);
ASSERT_EQUAL_VEC(Vec3( 7.08753e+02, 1.85253e+02, 5.51151e+02), forces1[469], tol);
ASSERT_EQUAL_VEC(Vec3( 2.01280e+02, -5.84706e+02, 5.82923e+02), forces1[470], tol);
ASSERT_EQUAL_VEC(Vec3( 5.29637e+02, 4.06934e+01, 9.99138e+01), forces1[471], tol);
ASSERT_EQUAL_VEC(Vec3(-1.19702e+02, 4.42978e+02, -2.70454e+02), forces1[472], tol);
ASSERT_EQUAL_VEC(Vec3(-6.87792e+02, -1.32245e+02, -7.35776e+01), forces1[473], tol);
ASSERT_EQUAL_VEC(Vec3(-2.99619e+02, 8.14627e+02, 2.72106e+01), forces1[474], tol);
ASSERT_EQUAL_VEC(Vec3(-2.26041e+02, -3.49841e+02, -2.73664e+02), forces1[475], tol);
ASSERT_EQUAL_VEC(Vec3(-3.38853e+02, 8.74214e+02, 2.98569e+02), forces1[476], tol);
ASSERT_EQUAL_VEC(Vec3( 5.63040e+02, 1.51174e+02, -1.10341e+02), forces1[477], tol);
ASSERT_EQUAL_VEC(Vec3( 3.44129e+02, 2.73283e+02, 5.44564e+02), forces1[478], tol);
ASSERT_EQUAL_VEC(Vec3( 3.29047e+01, 3.66771e+02, 3.30305e+02), forces1[479], tol);
ASSERT_EQUAL_VEC(Vec3(-4.97987e+01, -3.26340e+02, -6.47519e+02), forces1[480], tol);
ASSERT_EQUAL_VEC(Vec3( 6.05980e+01, -1.41021e+02, 4.05550e+02), forces1[481], tol);
ASSERT_EQUAL_VEC(Vec3(-1.35193e+03, 5.06460e+01, -1.40089e+02), forces1[482], tol);
ASSERT_EQUAL_VEC(Vec3( 7.69975e+01, -2.68983e+02, -1.75054e+02), forces1[483], tol);
ASSERT_EQUAL_VEC(Vec3(-1.89530e+02, -2.32958e+02, -2.54876e+02), forces1[484], tol);
ASSERT_EQUAL_VEC(Vec3( 2.37140e+02, 6.49184e+02, 1.01759e+02), forces1[485], tol);
ASSERT_EQUAL_VEC(Vec3(-3.38582e+02, 1.34683e+02, 7.89826e+02), forces1[486], tol);
ASSERT_EQUAL_VEC(Vec3(-5.59991e+02, -1.46821e+02, 3.62431e+01), forces1[487], tol);
ASSERT_EQUAL_VEC(Vec3(-3.52720e+02, 1.16574e+02, -4.55489e+02), forces1[488], tol);
ASSERT_EQUAL_VEC(Vec3( 6.56764e+01, 1.02552e+02, -9.81453e+01), forces1[489], tol);
ASSERT_EQUAL_VEC(Vec3(-4.22999e+02, 8.89176e+02, -9.19669e+01), forces1[490], tol);
ASSERT_EQUAL_VEC(Vec3( 5.13334e+02, 4.56108e+02, -6.86079e+01), forces1[491], tol);
ASSERT_EQUAL_VEC(Vec3( 1.12135e+02, 6.84704e+02, 4.44625e+01), forces1[492], tol);
ASSERT_EQUAL_VEC(Vec3( 2.15971e+02, 3.33099e+02, -4.41275e+02), forces1[493], tol);
ASSERT_EQUAL_VEC(Vec3(-4.87370e-01, -2.16943e+02, -5.39078e+02), forces1[494], tol);
ASSERT_EQUAL_VEC(Vec3(-3.91577e+02, 2.80055e+02, 4.50317e+02), forces1[495], tol);
ASSERT_EQUAL_VEC(Vec3( 2.40450e+02, -1.24633e+02, -2.70115e+02), forces1[496], tol);
ASSERT_EQUAL_VEC(Vec3( 7.23732e+01, 1.59397e+01, -5.23970e+01), forces1[497], tol);
ASSERT_EQUAL_VEC(Vec3(-1.41172e+02, -3.23970e+02, -4.05105e+02), forces1[498], tol);
ASSERT_EQUAL_VEC(Vec3( 3.93746e+02, 3.77842e+02, -4.56281e+02), forces1[499], tol);
ASSERT_EQUAL_VEC(Vec3(-2.67998e+02, -2.12761e+02, -7.96439e+02), forces1[500], tol);
ASSERT_EQUAL_VEC(Vec3( 9.59492e+02, 1.74115e+02, 1.16152e+01), forces1[501], tol);
ASSERT_EQUAL_VEC(Vec3(-3.93501e+01, 1.29106e+01, -1.89347e+02), forces1[502], tol);
ASSERT_EQUAL_VEC(Vec3( 2.49458e+02, 7.83930e+01, -4.78250e+02), forces1[503], tol);
ASSERT_EQUAL_VEC(Vec3( 5.16044e+02, 6.52904e+02, -5.05255e+02), forces1[504], tol);
ASSERT_EQUAL_VEC(Vec3( 5.10790e+01, -5.19600e+02, 6.82941e+00), forces1[505], tol);
ASSERT_EQUAL_VEC(Vec3(-7.68988e+01, -1.13215e+03, -7.05215e+02), forces1[506], tol);
ASSERT_EQUAL_VEC(Vec3(-2.13083e+02, 1.68863e+00, 8.26377e+02), forces1[507], tol);
ASSERT_EQUAL_VEC(Vec3( 1.86606e+01, 1.91403e+02, 4.18423e+02), forces1[508], tol);
ASSERT_EQUAL_VEC(Vec3( 2.35358e+02, 3.79667e+02, -3.13829e+02), forces1[509], tol);
ASSERT_EQUAL_VEC(Vec3(-1.26198e+02, -2.59719e+02, -6.76311e+02), forces1[510], tol);
ASSERT_EQUAL_VEC(Vec3(-1.38258e+02, -3.38620e+02, 2.20451e+02), forces1[511], tol);
ASSERT_EQUAL_VEC(Vec3(-2.25461e+02, -7.80816e+02, -2.43646e+02), forces1[512], tol);
ASSERT_EQUAL_VEC(Vec3(-3.10604e+01, 4.16051e+01, 6.15644e+01), forces1[513], tol);
ASSERT_EQUAL_VEC(Vec3( 6.75638e+01, 9.67799e+01, 6.03426e+02), forces1[514], tol);
ASSERT_EQUAL_VEC(Vec3(-1.27092e+02, -4.74786e+01, 4.67732e+02), forces1[515], tol);
ASSERT_EQUAL_VEC(Vec3(-2.72718e+02, 3.30904e+01, -2.81969e+02), forces1[516], tol);
ASSERT_EQUAL_VEC(Vec3( 4.78708e+02, 8.27630e+01, -3.32365e+02), forces1[517], tol);
ASSERT_EQUAL_VEC(Vec3( 1.48583e+02, 1.88623e+02, -5.92109e+02), forces1[518], tol);
ASSERT_EQUAL_VEC(Vec3(-9.24687e+01, 6.86960e+01, 5.16806e+02), forces1[519], tol);
ASSERT_EQUAL_VEC(Vec3( 4.32885e+02, -4.67487e+02, 1.09388e+02), forces1[520], tol);
ASSERT_EQUAL_VEC(Vec3(-2.19076e+02, 2.08356e+00, 1.05234e+03), forces1[521], tol);
ASSERT_EQUAL_VEC(Vec3(-3.95711e+02, -3.31334e+02, 6.33917e+02), forces1[522], tol);
ASSERT_EQUAL_VEC(Vec3( 2.29127e+01, 5.34140e+02, 3.48041e+01), forces1[523], tol);
ASSERT_EQUAL_VEC(Vec3( 4.58862e+02, -2.39332e+02, 5.46969e+01), forces1[524], tol);
ASSERT_EQUAL_VEC(Vec3( 9.97684e+01, 6.32200e+02, -2.38256e+02), forces1[525], tol);
ASSERT_EQUAL_VEC(Vec3(-5.41816e+02, 2.23588e+02, 3.43986e+02), forces1[526], tol);
ASSERT_EQUAL_VEC(Vec3( 6.66038e+02, 4.01166e+02, 3.95435e+02), forces1[527], tol);
ASSERT_EQUAL_VEC(Vec3(-3.06412e+02, 9.39713e+02, -8.27951e+01), forces1[528], tol);
ASSERT_EQUAL_VEC(Vec3(-6.74084e+02, 3.08236e+02, 3.73252e+02), forces1[529], tol);
ASSERT_EQUAL_VEC(Vec3( 2.12296e+02, -1.45360e+02, 2.64306e+02), forces1[530], tol);
ASSERT_EQUAL_VEC(Vec3( 5.45245e+01, -8.21096e+01, 1.51265e+01), forces1[531], tol);
ASSERT_EQUAL_VEC(Vec3( 1.18910e+03, 9.92315e+02, 1.56912e+02), forces1[532], tol);
ASSERT_EQUAL_VEC(Vec3( 4.27129e+02, 1.57559e+02, -3.44345e+02), forces1[533], tol);
ASSERT_EQUAL_VEC(Vec3( 4.25879e+02, -8.14513e+02, -2.37537e+02), forces1[534], tol);
ASSERT_EQUAL_VEC(Vec3( 1.28753e+02, 2.55759e+02, 4.07890e+02), forces1[535], tol);
ASSERT_EQUAL_VEC(Vec3(-4.27472e+02, 1.69782e+02, 1.81400e+02), forces1[536], tol);
ASSERT_EQUAL_VEC(Vec3(-1.35803e+01, 6.03708e+01, -2.72317e+02), forces1[537], tol);
ASSERT_EQUAL_VEC(Vec3( 3.33174e+02, 2.70226e+02, -1.39400e+02), forces1[538], tol);
ASSERT_EQUAL_VEC(Vec3( 4.27463e+02, 1.39185e+02, 1.50051e+02), forces1[539], tol);
ASSERT_EQUAL_VEC(Vec3(-8.29129e+01, -1.00155e+02, -6.82106e+01), forces1[540], tol);
ASSERT_EQUAL_VEC(Vec3( 4.42454e+02, -8.63490e+02, 5.13458e+02), forces1[541], tol);
ASSERT_EQUAL_VEC(Vec3( 2.60683e+02, -6.37510e+01, 1.70972e+02), forces1[542], tol);
ASSERT_EQUAL_VEC(Vec3(-3.90402e+02, -6.79668e+01, -2.36492e+02), forces1[543], tol);
ASSERT_EQUAL_VEC(Vec3( 2.47134e+02, -6.89590e+02, 2.32358e+02), forces1[544], tol);
ASSERT_EQUAL_VEC(Vec3(-5.36759e+02, 2.88860e+02, -6.13641e+02), forces1[545], tol);
ASSERT_EQUAL_VEC(Vec3(-7.93522e+02, 1.07651e+02, 1.05021e+03), forces1[546], tol);
ASSERT_EQUAL_VEC(Vec3( 5.82887e+02, 1.51816e+02, 4.23889e+02), forces1[547], tol);
ASSERT_EQUAL_VEC(Vec3( 1.88325e+02, 3.18348e+02, 2.45829e+02), forces1[548], tol);
ASSERT_EQUAL_VEC(Vec3( 2.61706e+02, 2.14114e+02, -1.84884e+02), forces1[549], tol);
ASSERT_EQUAL_VEC(Vec3(-6.23135e+01, -3.92081e+02, 3.63681e+02), forces1[550], tol);
ASSERT_EQUAL_VEC(Vec3( 2.19342e+02, -3.09069e+02, 2.60297e+02), forces1[551], tol);
ASSERT_EQUAL_VEC(Vec3( 5.02121e+02, -5.84013e+02, -2.55782e+02), forces1[552], tol);
ASSERT_EQUAL_VEC(Vec3( 3.03896e+02, 8.14784e+01, 3.89611e+02), forces1[553], tol);
ASSERT_EQUAL_VEC(Vec3(-1.63570e+01, -1.20665e+02, -1.80834e+02), forces1[554], tol);
ASSERT_EQUAL_VEC(Vec3( 5.41978e+02, 1.88566e+02, 1.13688e+02), forces1[555], tol);
ASSERT_EQUAL_VEC(Vec3( 1.22433e+01, -7.61806e+02, -5.24497e+02), forces1[556], tol);
ASSERT_EQUAL_VEC(Vec3(-4.66740e+02, 1.60557e+02, 1.60939e+02), forces1[557], tol);
ASSERT_EQUAL_VEC(Vec3( 1.52457e+02, -2.28607e+02, -5.94690e+01), forces1[558], tol);
ASSERT_EQUAL_VEC(Vec3( 1.80888e+02, 2.02585e+02, 2.57319e+02), forces1[559], tol);
ASSERT_EQUAL_VEC(Vec3( 6.16843e+02, -3.58498e+02, -5.69821e+02), forces1[560], tol);
ASSERT_EQUAL_VEC(Vec3(-1.57111e+02, -1.13569e+02, -1.64406e+02), forces1[561], tol);
ASSERT_EQUAL_VEC(Vec3(-5.95573e+02, 1.76708e+02, -1.20416e+02), forces1[562], tol);
ASSERT_EQUAL_VEC(Vec3(-6.71022e+01, 7.56220e+02, 5.71559e+02), forces1[563], tol);
ASSERT_EQUAL_VEC(Vec3(-2.03120e+02, -5.27280e+02, -8.87774e+01), forces1[564], tol);
ASSERT_EQUAL_VEC(Vec3(-1.55600e+02, 2.45850e+02, 3.01861e+01), forces1[565], tol);
ASSERT_EQUAL_VEC(Vec3( 1.30693e+02, -2.25616e+02, -3.22200e+02), forces1[566], tol);
ASSERT_EQUAL_VEC(Vec3( 8.50163e+00, -1.67330e+02, 1.64207e+02), forces1[567], tol);
ASSERT_EQUAL_VEC(Vec3(-2.31496e+02, -5.93524e+00, -4.92426e+02), forces1[568], tol);
ASSERT_EQUAL_VEC(Vec3(-1.99378e+02, -1.40003e+02, 2.20600e+01), forces1[569], tol);
ASSERT_EQUAL_VEC(Vec3(-2.65254e+02, 6.41911e+02, 2.96826e+01), forces1[570], tol);
ASSERT_EQUAL_VEC(Vec3(-6.43644e+02, -9.18721e+01, 4.59939e+02), forces1[571], tol);
ASSERT_EQUAL_VEC(Vec3( 3.08964e+02, 8.15563e+02, 4.66117e+02), forces1[572], tol);
ASSERT_EQUAL_VEC(Vec3( 3.27958e+02, -3.65732e+02, -7.14736e+02), forces1[573], tol);
ASSERT_EQUAL_VEC(Vec3(-2.27143e+01, 1.71616e+02, 5.53835e+02), forces1[574], tol);
ASSERT_EQUAL_VEC(Vec3(-3.66153e+02, -4.26970e+02, 4.19225e+02), forces1[575], tol);
ASSERT_EQUAL_VEC(Vec3( 3.35352e+02, 4.34253e+02, 3.88513e+02), forces1[576], tol);
ASSERT_EQUAL_VEC(Vec3( 1.92411e+02, 3.20021e+01, 2.85805e+02), forces1[577], tol);
ASSERT_EQUAL_VEC(Vec3(-1.98797e+02, -5.26323e+02, 3.78346e+02), forces1[578], tol);
ASSERT_EQUAL_VEC(Vec3( 1.45478e+01, -4.73229e+02, 1.99924e+02), forces1[579], tol);
ASSERT_EQUAL_VEC(Vec3(-4.54986e+02, -4.41692e+02, -1.24580e+01), forces1[580], tol);
ASSERT_EQUAL_VEC(Vec3(-4.14887e+02, 2.39737e+02, 1.50739e+02), forces1[581], tol);
ASSERT_EQUAL_VEC(Vec3(-3.05987e+02, -5.48474e+02, 1.68225e+02), forces1[582], tol);
ASSERT_EQUAL_VEC(Vec3(-4.75144e+02, -5.13947e+02, -3.05852e+02), forces1[583], tol);
ASSERT_EQUAL_VEC(Vec3(-1.94336e+02, 1.30198e+02, -3.61876e+02), forces1[584], tol);
ASSERT_EQUAL_VEC(Vec3(-3.90896e+02, 9.91483e+01, -5.15021e+02), forces1[585], tol);
ASSERT_EQUAL_VEC(Vec3(-6.84463e+01, 4.13153e+01, -2.50205e+02), forces1[586], tol);
ASSERT_EQUAL_VEC(Vec3(-1.33546e+02, 4.37436e+02, 3.93115e+02), forces1[587], tol);
ASSERT_EQUAL_VEC(Vec3( 2.17884e+02, -3.56946e+02, -2.18969e+01), forces1[588], tol);
ASSERT_EQUAL_VEC(Vec3(-6.71098e+01, -2.85177e+01, -4.77738e+02), forces1[589], tol);
ASSERT_EQUAL_VEC(Vec3(-1.52910e+02, 1.00734e+02, 7.10518e+01), forces1[590], tol);
ASSERT_EQUAL_VEC(Vec3(-4.51744e+02, 3.40012e+02, -4.62177e+02), forces1[591], tol);
ASSERT_EQUAL_VEC(Vec3(-3.10160e+02, 9.78204e+02, 6.76386e+02), forces1[592], tol);
ASSERT_EQUAL_VEC(Vec3(-3.27570e+02, -1.79611e+02, -2.92229e+02), forces1[593], tol);
ASSERT_EQUAL_VEC(Vec3(-1.59844e+02, 2.90908e+01, -2.88809e+02), forces1[594], tol);
ASSERT_EQUAL_VEC(Vec3( 2.51646e+02, -6.16089e+02, -2.74649e+02), forces1[595], tol);
ASSERT_EQUAL_VEC(Vec3(-4.29770e+02, 2.97845e+02, 2.42778e+02), forces1[596], tol);
ASSERT_EQUAL_VEC(Vec3(-6.54276e+01, -3.70145e+00, 1.09371e+02), forces1[597], tol);
ASSERT_EQUAL_VEC(Vec3(-1.13649e+02, 1.22416e+02, -1.64174e+02), forces1[598], tol);
ASSERT_EQUAL_VEC(Vec3(-4.57994e+02, -5.24219e+02, -4.23537e+02), forces1[599], tol);
ASSERT_EQUAL_VEC(Vec3(-4.01122e+02, -3.10908e+02, -4.86433e+02), forces1[600], tol);
ASSERT_EQUAL_VEC(Vec3( 5.98525e+02, 2.14431e+02, -3.57310e+02), forces1[601], tol);
ASSERT_EQUAL_VEC(Vec3( 2.56640e+02, 7.11992e+01, -6.74285e+02), forces1[602], tol);
ASSERT_EQUAL_VEC(Vec3(-4.29293e+02, 3.33266e+02, -9.12898e+02), forces1[603], tol);
ASSERT_EQUAL_VEC(Vec3(-2.69637e+01, -1.31695e+02, -3.65262e+02), forces1[604], tol);
ASSERT_EQUAL_VEC(Vec3(-9.50771e+00, 3.29551e+02, 1.84445e+01), forces1[605], tol);
ASSERT_EQUAL_VEC(Vec3( 1.01475e+03, 8.03474e+01, -6.28561e+02), forces1[606], tol);
ASSERT_EQUAL_VEC(Vec3( 2.39376e+02, -4.08073e+02, -1.62858e+02), forces1[607], tol);
ASSERT_EQUAL_VEC(Vec3(-3.93618e+02, -5.17098e+02, 5.21853e+02), forces1[608], tol);
ASSERT_EQUAL_VEC(Vec3(-1.37173e+02, -3.86360e+01, 4.26832e+02), forces1[609], tol);
ASSERT_EQUAL_VEC(Vec3( 4.56735e+02, 1.63812e+02, 1.01401e+01), forces1[610], tol);
ASSERT_EQUAL_VEC(Vec3(-1.53136e+02, 1.02274e+02, -7.27489e+02), forces1[611], tol);
ASSERT_EQUAL_VEC(Vec3(-1.82093e+02, 7.24771e+00, -5.10685e+02), forces1[612], tol);
ASSERT_EQUAL_VEC(Vec3( 3.54488e+02, -8.64195e+01, -4.10175e+02), forces1[613], tol);
ASSERT_EQUAL_VEC(Vec3(-6.67624e+01, -7.57961e+01, 7.77301e+01), forces1[614], tol);
ASSERT_EQUAL_VEC(Vec3( 5.34204e+01, -3.49058e+02, -4.41041e+02), forces1[615], tol);
ASSERT_EQUAL_VEC(Vec3(-2.55977e+02, -1.85092e+02, -1.67787e+01), forces1[616], tol);
ASSERT_EQUAL_VEC(Vec3(-2.60220e+02, 4.50663e+02, 6.87571e+02), forces1[617], tol);
ASSERT_EQUAL_VEC(Vec3(-4.84849e+01, -1.47661e+02, 1.30457e+02), forces1[618], tol);
ASSERT_EQUAL_VEC(Vec3(-5.03870e+02, 3.00380e+02, 2.91153e+01), forces1[619], tol);
ASSERT_EQUAL_VEC(Vec3(-3.26882e+02, -2.54121e+02, -1.97289e+02), forces1[620], tol);
ASSERT_EQUAL_VEC(Vec3( 2.23127e+02, 4.31849e+02, -3.45782e+02), forces1[621], tol);
ASSERT_EQUAL_VEC(Vec3(-2.69077e+00, -7.70485e+01, -4.23857e-01), forces1[622], tol);
ASSERT_EQUAL_VEC(Vec3( 8.20397e+02, 7.99593e+02, 4.14368e+02), forces1[623], tol);
ASSERT_EQUAL_VEC(Vec3(-6.20274e+01, -4.27151e+02, -3.70575e+02), forces1[624], tol);
ASSERT_EQUAL_VEC(Vec3(-2.49506e+01, -1.44622e+02, 7.41551e+02), forces1[625], tol);
ASSERT_EQUAL_VEC(Vec3(-6.41672e+02, 6.29867e+01, 1.58002e+02), forces1[626], tol);
ASSERT_EQUAL_VEC(Vec3(-5.89354e+02, -2.66715e+02, 7.40461e+01), forces1[627], tol);
ASSERT_EQUAL_VEC(Vec3( 5.26897e+02, -4.19406e+02, -2.37126e+02), forces1[628], tol);
ASSERT_EQUAL_VEC(Vec3( 4.42823e+02, -3.89602e+00, 5.35394e+02), forces1[629], tol);
ASSERT_EQUAL_VEC(Vec3( 2.38351e+02, -5.34626e+02, 2.63027e+02), forces1[630], tol);
ASSERT_EQUAL_VEC(Vec3(-2.48039e+02, -1.44724e+01, 7.55533e+02), forces1[631], tol);
ASSERT_EQUAL_VEC(Vec3(-8.06993e+01, -4.42707e+02, -4.11282e+02), forces1[632], tol);
ASSERT_EQUAL_VEC(Vec3( 4.64135e+02, -7.82572e+02, 7.48550e+02), forces1[633], tol);
ASSERT_EQUAL_VEC(Vec3( 3.75024e+02, 3.06926e+02, 2.76975e+02), forces1[634], tol);
ASSERT_EQUAL_VEC(Vec3( 4.43670e+02, -1.70164e+02, -2.61356e+02), forces1[635], tol);
ASSERT_EQUAL_VEC(Vec3( 5.20769e+02, -7.66032e+00, -2.76126e+02), forces1[636], tol);
ASSERT_EQUAL_VEC(Vec3(-2.28461e+02, 5.33833e+02, -3.58038e+01), forces1[637], tol);
ASSERT_EQUAL_VEC(Vec3(-1.70108e+02, -7.30449e+01, -3.73102e+02), forces1[638], tol);
ASSERT_EQUAL_VEC(Vec3( 1.90864e+02, 1.53717e+02, -9.75681e+00), forces1[639], tol);
ASSERT_EQUAL_VEC(Vec3( 2.59596e+02, 2.75192e+01, -2.02348e+02), forces1[640], tol);
ASSERT_EQUAL_VEC(Vec3( 3.25228e+02, 2.78224e+01, 5.21697e+02), forces1[641], tol);
ASSERT_EQUAL_VEC(Vec3( 1.12825e+02, -6.70108e+02, -7.86084e+01), forces1[642], tol);
ASSERT_EQUAL_VEC(Vec3(-1.10050e+01, -4.90683e+01, -2.91299e+02), forces1[643], tol);
ASSERT_EQUAL_VEC(Vec3( 2.77327e+02, 2.29323e+02, 5.59760e+02), forces1[644], tol);
ASSERT_EQUAL_VEC(Vec3( 4.59573e+02, 1.21299e+02, -4.79315e+02), forces1[645], tol);
ASSERT_EQUAL_VEC(Vec3(-5.30622e+02, -3.96117e+02, -4.37730e+01), forces1[646], tol);
ASSERT_EQUAL_VEC(Vec3( 5.87415e+01, 3.74983e+02, -4.59323e+00), forces1[647], tol);
ASSERT_EQUAL_VEC(Vec3(-5.72048e+02, -3.24796e+02, -5.11139e+01), forces1[648], tol);
ASSERT_EQUAL_VEC(Vec3(-1.51870e+03, 1.63888e+02, -7.67908e+01), forces1[649], tol);
ASSERT_EQUAL_VEC(Vec3( 4.86979e+02, 5.16872e+02, -7.62781e+01), forces1[650], tol);
ASSERT_EQUAL_VEC(Vec3( 2.48285e+02, -8.90776e+02, 6.71667e+01), forces1[651], tol);
ASSERT_EQUAL_VEC(Vec3(-1.54175e+00, 1.36939e+02, -1.04189e+02), forces1[652], tol);
ASSERT_EQUAL_VEC(Vec3(-1.20205e+02, 2.89638e+02, -6.63136e+02), forces1[653], tol);
ASSERT_EQUAL_VEC(Vec3(-1.59426e+02, -4.16181e+02, 2.79418e+02), forces1[654], tol);
ASSERT_EQUAL_VEC(Vec3(-2.98735e+02, -2.96276e+02, 3.36143e+02), forces1[655], tol);
ASSERT_EQUAL_VEC(Vec3(-4.91907e+02, -4.26747e+01, 1.25389e+01), forces1[656], tol);
ASSERT_EQUAL_VEC(Vec3(-2.47943e+02, -2.67473e+02, 2.21842e+02), forces1[657], tol);
ASSERT_EQUAL_VEC(Vec3(-2.42851e+01, 2.61470e+01, -6.65055e+01), forces1[658], tol);
ASSERT_EQUAL_VEC(Vec3( 3.64175e+02, 4.13063e+02, -5.51340e+02), forces1[659], tol);
ASSERT_EQUAL_VEC(Vec3( 3.74845e+02, -6.33619e+02, 5.37646e+00), forces1[660], tol);
ASSERT_EQUAL_VEC(Vec3( 6.51845e+01, 5.97073e+02, 2.54487e+01), forces1[661], tol);
ASSERT_EQUAL_VEC(Vec3(-2.53437e+02, -7.70454e-02, -3.64178e+02), forces1[662], tol);
ASSERT_EQUAL_VEC(Vec3(-4.19786e+01, 5.32473e+02, 5.67523e+02), forces1[663], tol);
ASSERT_EQUAL_VEC(Vec3( 2.18380e+01, -2.88670e+02, 2.73917e+02), forces1[664], tol);
ASSERT_EQUAL_VEC(Vec3( 2.56668e+02, 1.75282e+02, 2.67811e+02), forces1[665], tol);
ASSERT_EQUAL_VEC(Vec3(-1.42006e+02, -1.93562e+02, -4.45933e+02), forces1[666], tol);
ASSERT_EQUAL_VEC(Vec3(-5.74483e+01, -4.30855e+02, -7.59684e+02), forces1[667], tol);
ASSERT_EQUAL_VEC(Vec3(-4.90370e+02, 2.12536e+02, 1.21399e+02), forces1[668], tol);
ASSERT_EQUAL_VEC(Vec3( 1.94634e+02, 1.32086e+02, 1.71425e+02), forces1[669], tol);
ASSERT_EQUAL_VEC(Vec3(-2.73623e+02, 7.78030e+02, 2.78021e+02), forces1[670], tol);
ASSERT_EQUAL_VEC(Vec3(-2.62074e+02, 3.53998e+02, 1.59712e+02), forces1[671], tol);
ASSERT_EQUAL_VEC(Vec3( 3.74175e+01, -6.21070e+02, -1.89712e+02), forces1[672], tol);
ASSERT_EQUAL_VEC(Vec3( 2.70256e+02, -1.98712e+02, -1.68453e+02), forces1[673], tol);
ASSERT_EQUAL_VEC(Vec3(-3.72180e+02, 2.16555e+02, -7.51654e+01), forces1[674], tol);
ASSERT_EQUAL_VEC(Vec3( 4.60646e+02, -2.41020e+02, 1.87544e+02), forces1[675], tol);
ASSERT_EQUAL_VEC(Vec3(-8.64562e+00, -4.96607e+01, 4.14111e+02), forces1[676], tol);
ASSERT_EQUAL_VEC(Vec3(-5.53550e+02, 2.02023e+02, 2.48778e+02), forces1[677], tol);
ASSERT_EQUAL_VEC(Vec3( 4.12902e+02, 3.97615e+02, -7.77105e+02), forces1[678], tol);
ASSERT_EQUAL_VEC(Vec3( 4.37864e+02, 3.87796e+02, -2.57117e+02), forces1[679], tol);
ASSERT_EQUAL_VEC(Vec3(-1.99545e+02, -5.31838e+02, -7.08357e+02), forces1[680], tol);
ASSERT_EQUAL_VEC(Vec3( 7.16820e+01, 2.15323e+02, -2.17986e+02), forces1[681], tol);
ASSERT_EQUAL_VEC(Vec3(-2.27238e+02, -3.33101e+02, -8.95801e+01), forces1[682], tol);
ASSERT_EQUAL_VEC(Vec3( 1.12342e+02, -2.81421e+02, 1.84405e+02), forces1[683], tol);
ASSERT_EQUAL_VEC(Vec3( 5.30416e+01, -1.73619e+02, 3.80448e+02), forces1[684], tol);
ASSERT_EQUAL_VEC(Vec3(-1.53132e+02, -4.19546e+02, 3.62048e+02), forces1[685], tol);
ASSERT_EQUAL_VEC(Vec3(-8.26083e+01, 1.22020e+02, -2.05481e+01), forces1[686], tol);
ASSERT_EQUAL_VEC(Vec3(-4.09521e+02, 3.88078e+01, 7.34580e+02), forces1[687], tol);
ASSERT_EQUAL_VEC(Vec3( 2.30481e+02, 4.59140e+01, -3.44443e+02), forces1[688], tol);
ASSERT_EQUAL_VEC(Vec3(-2.99023e+02, 6.71185e+02, -1.01234e+03), forces1[689], tol);
ASSERT_EQUAL_VEC(Vec3( 2.93615e+02, -1.62637e+01, -5.52882e+02), forces1[690], tol);
ASSERT_EQUAL_VEC(Vec3(-1.41601e+02, -4.87777e+02, 2.73045e+02), forces1[691], tol);
ASSERT_EQUAL_VEC(Vec3(-1.26640e+02, -4.36399e+02, 7.19796e+01), forces1[692], tol);
ASSERT_EQUAL_VEC(Vec3( 1.33472e+02, 2.25647e+02, 5.65785e+02), forces1[693], tol);
ASSERT_EQUAL_VEC(Vec3( 7.34336e+02, 4.69224e+02, -5.53023e+02), forces1[694], tol);
ASSERT_EQUAL_VEC(Vec3(-6.36602e+01, -2.05110e+02, -4.73058e+02), forces1[695], tol);
ASSERT_EQUAL_VEC(Vec3(-3.35930e+02, -2.75966e+02, 4.10409e+02), forces1[696], tol);
ASSERT_EQUAL_VEC(Vec3(-1.98434e+02, -2.81395e+02, -1.48447e+02), forces1[697], tol);
ASSERT_EQUAL_VEC(Vec3( 6.97000e+02, -2.08385e+02, -1.22103e+02), forces1[698], tol);
ASSERT_EQUAL_VEC(Vec3( 6.16657e+02, -2.04959e+02, -2.28466e+02), forces1[699], tol);
ASSERT_EQUAL_VEC(Vec3( 1.59028e+02, 2.68339e+02, -1.13410e+02), forces1[700], tol);
ASSERT_EQUAL_VEC(Vec3( 2.52343e+02, 3.78670e+02, -1.30509e+03), forces1[701], tol);
ASSERT_EQUAL_VEC(Vec3( 7.30827e+02, -3.70990e+02, -6.60678e+02), forces1[702], tol);
ASSERT_EQUAL_VEC(Vec3(-4.64409e+01, 1.28066e+02, 8.75692e+01), forces1[703], tol);
ASSERT_EQUAL_VEC(Vec3( 3.26215e+02, -1.75860e+02, 7.03132e+01), forces1[704], tol);
ASSERT_EQUAL_VEC(Vec3( 9.80781e+01, -2.26689e+02, -2.00001e+02), forces1[705], tol);
ASSERT_EQUAL_VEC(Vec3( 5.01952e+01, 2.67236e+02, 5.24662e+02), forces1[706], tol);
ASSERT_EQUAL_VEC(Vec3(-2.52900e+02, -8.04961e+02, 4.03069e+02), forces1[707], tol);
ASSERT_EQUAL_VEC(Vec3(-2.40213e+02, -2.54318e+02, 5.06462e+02), forces1[708], tol);
ASSERT_EQUAL_VEC(Vec3( 4.48948e+02, 3.49506e+02, 2.88403e+02), forces1[709], tol);
ASSERT_EQUAL_VEC(Vec3( 3.10145e+02, 3.91032e+02, -9.77450e+02), forces1[710], tol);
ASSERT_EQUAL_VEC(Vec3( 7.63176e+02, 2.06934e+02, 1.03498e+02), forces1[711], tol);
ASSERT_EQUAL_VEC(Vec3( 4.64450e+02, 2.52676e+02, 7.37725e+01), forces1[712], tol);
ASSERT_EQUAL_VEC(Vec3( 9.14947e+02, 3.40040e+02, -2.99021e+02), forces1[713], tol);
ASSERT_EQUAL_VEC(Vec3( 5.05311e+02, 1.59558e+02, -9.12417e+00), forces1[714], tol);
ASSERT_EQUAL_VEC(Vec3(-3.46704e+02, 1.40018e+02, 1.54716e+02), forces1[715], tol);
ASSERT_EQUAL_VEC(Vec3(-1.66193e+01, -4.02081e+01, -1.23816e+02), forces1[716], tol);
ASSERT_EQUAL_VEC(Vec3(-7.57179e+01, -4.48049e+02, -4.21095e+02), forces1[717], tol);
ASSERT_EQUAL_VEC(Vec3( 1.04055e+03, -2.36062e+02, 1.43125e+01), forces1[718], tol);
ASSERT_EQUAL_VEC(Vec3(-2.65437e+01, 6.06573e+02, 4.91404e+01), forces1[719], tol);
ASSERT_EQUAL_VEC(Vec3(-1.33799e+02, -3.09741e+02, 2.79872e+01), forces1[720], tol);
ASSERT_EQUAL_VEC(Vec3(-9.76583e+01, -1.13792e+03, 4.60486e+02), forces1[721], tol);
ASSERT_EQUAL_VEC(Vec3(-2.56797e+02, 9.31614e+01, 3.24973e+02), forces1[722], tol);
ASSERT_EQUAL_VEC(Vec3(-8.66116e+01, 5.60535e+02, 2.96444e+02), forces1[723], tol);
ASSERT_EQUAL_VEC(Vec3( 1.26228e+02, 1.40946e+02, 3.97444e+02), forces1[724], tol);
ASSERT_EQUAL_VEC(Vec3( 1.03121e+02, -1.43347e+02, 1.91577e+02), forces1[725], tol);
ASSERT_EQUAL_VEC(Vec3(-9.29460e+01, 4.44591e+01, -9.69787e+01), forces1[726], tol);
ASSERT_EQUAL_VEC(Vec3(-1.07841e+02, 4.40146e+01, 2.20888e+02), forces1[727], tol);
ASSERT_EQUAL_VEC(Vec3( 2.92927e+02, 5.54167e+02, 3.56991e+02), forces1[728], tol);
ASSERT_EQUAL_VEC(Vec3(-6.11691e+02, 1.34361e+02, 4.75043e+01), forces1[729], tol);
ASSERT_EQUAL_VEC(Vec3(-8.07637e+02, 1.63874e+01, -2.56526e+02), forces1[730], tol);
ASSERT_EQUAL_VEC(Vec3( 5.08711e+01, 1.35146e+01, 4.82187e+02), forces1[731], tol);
ASSERT_EQUAL_VEC(Vec3(-5.01040e+02, -7.35292e+02, 6.67901e+02), forces1[732], tol);
ASSERT_EQUAL_VEC(Vec3(-1.74444e+00, 6.70711e+02, -1.03875e+03), forces1[733], tol);
ASSERT_EQUAL_VEC(Vec3(-1.95458e+02, 4.63751e+02, 7.41370e+01), forces1[734], tol);
ASSERT_EQUAL_VEC(Vec3(-2.73273e+02, -4.33968e+02, -5.86860e+02), forces1[735], tol);
ASSERT_EQUAL_VEC(Vec3( 3.87495e+02, -3.57412e+02, -1.22672e+02), forces1[736], tol);
ASSERT_EQUAL_VEC(Vec3( 2.10269e+02, -8.24362e+01, -3.92484e+02), forces1[737], tol);
ASSERT_EQUAL_VEC(Vec3( 8.30177e+02, -6.58237e+02, -4.70878e+02), forces1[738], tol);
ASSERT_EQUAL_VEC(Vec3( 1.32212e+02, 1.07237e+02, -2.42604e+02), forces1[739], tol);
ASSERT_EQUAL_VEC(Vec3(-4.36754e+02, 2.00495e+01, -3.45995e+02), forces1[740], tol);
ASSERT_EQUAL_VEC(Vec3(-5.77243e+02, 1.27456e+02, -4.58812e+02), forces1[741], tol);
ASSERT_EQUAL_VEC(Vec3( 1.97467e+02, -2.58380e+02, 1.34659e+02), forces1[742], tol);
ASSERT_EQUAL_VEC(Vec3( 3.87615e+01, -8.11440e+02, -2.37606e+02), forces1[743], tol);
ASSERT_EQUAL_VEC(Vec3(-5.43753e+02, 7.08855e+01, -1.18515e+02), forces1[744], tol);
ASSERT_EQUAL_VEC(Vec3(-4.18102e+02, 9.12534e+01, -3.26390e+02), forces1[745], tol);
ASSERT_EQUAL_VEC(Vec3(-1.04709e+02, 4.73095e+02, -5.52378e+02), forces1[746], tol);
ASSERT_EQUAL_VEC(Vec3( 1.50360e+02, 6.74565e+02, -8.65160e+01), forces1[747], tol);
ASSERT_EQUAL_VEC(Vec3(-4.91737e+01, 9.70173e+01, 4.14679e+01), forces1[748], tol);
ASSERT_EQUAL_VEC(Vec3(-1.53125e+02, -3.14702e+02, 1.64510e+02), forces1[749], tol);
ASSERT_EQUAL_VEC(Vec3( 5.30495e-01, -2.20851e+02, 2.62854e+02), forces1[750], tol);
ASSERT_EQUAL_VEC(Vec3(-6.92133e+02, 2.00411e+02, -2.65836e+02), forces1[751], tol);
ASSERT_EQUAL_VEC(Vec3( 3.79173e+01, -1.05185e+02, -3.82562e+01), forces1[752], tol);
ASSERT_EQUAL_VEC(Vec3(-2.53019e+02, 2.11965e+02, -3.81685e+02), forces1[753], tol);
ASSERT_EQUAL_VEC(Vec3(-2.51275e+02, -3.93318e+02, -1.33319e+01), forces1[754], tol);
ASSERT_EQUAL_VEC(Vec3(-3.01504e+01, 1.45593e+02, -6.30497e+01), forces1[755], tol);
ASSERT_EQUAL_VEC(Vec3(-2.76292e+02, -4.61698e+02, -2.69332e+02), forces1[756], tol);
ASSERT_EQUAL_VEC(Vec3( 6.48621e+01, 3.68736e+02, 2.32248e+02), forces1[757], tol);
ASSERT_EQUAL_VEC(Vec3(-4.48067e+02, 4.24009e+02, 2.00610e+02), forces1[758], tol);
ASSERT_EQUAL_VEC(Vec3( 1.50429e+01, -7.33695e+01, 4.00840e+02), forces1[759], tol);
ASSERT_EQUAL_VEC(Vec3( 4.06786e+02, 1.22307e+02, -3.26363e+02), forces1[760], tol);
ASSERT_EQUAL_VEC(Vec3(-3.55719e+02, -4.23669e+02, 1.92960e+02), forces1[761], tol);
ASSERT_EQUAL_VEC(Vec3(-4.78729e+01, 1.13402e+02, -4.55740e+02), forces1[762], tol);
ASSERT_EQUAL_VEC(Vec3( 5.50243e+02, 3.20969e+02, -2.04136e+02), forces1[763], tol);
ASSERT_EQUAL_VEC(Vec3(-3.98710e+01, 6.43079e+01, 2.62905e+02), forces1[764], tol);
ASSERT_EQUAL_VEC(Vec3(-7.85308e+01, -7.50634e+01, -7.62985e+02), forces1[765], tol);
ASSERT_EQUAL_VEC(Vec3( 9.57106e+00, -3.95503e+02, -8.95762e+01), forces1[766], tol);
ASSERT_EQUAL_VEC(Vec3( 4.83241e+02, -7.40429e+02, -5.32394e+02), forces1[767], tol);
ASSERT_EQUAL_VEC(Vec3(-1.61812e+02, 8.15330e+01, 4.71839e+02), forces1[768], tol);
ASSERT_EQUAL_VEC(Vec3(-3.30804e+02, -4.22034e+01, -1.05047e+03), forces1[769], tol);
ASSERT_EQUAL_VEC(Vec3( 3.34235e+02, -1.34572e+02, 3.33949e+02), forces1[770], tol);
ASSERT_EQUAL_VEC(Vec3( 2.25419e+01, 6.94642e+02, 3.48219e+01), forces1[771], tol);
ASSERT_EQUAL_VEC(Vec3( 4.92303e+02, -3.56656e+02, 7.11609e+01), forces1[772], tol);
ASSERT_EQUAL_VEC(Vec3( 2.17147e+02, 4.05015e+01, 3.47170e+02), forces1[773], tol);
ASSERT_EQUAL_VEC(Vec3(-1.61124e+01, 1.47264e+03, 5.49828e+02), forces1[774], tol);
ASSERT_EQUAL_VEC(Vec3( 8.39474e+01, -4.18457e+02, 2.34855e+02), forces1[775], tol);
ASSERT_EQUAL_VEC(Vec3(-2.31366e+02, 2.37297e+02, 6.61710e+01), forces1[776], tol);
ASSERT_EQUAL_VEC(Vec3(-6.23896e+01, -7.00160e+02, 4.91298e+02), forces1[777], tol);
ASSERT_EQUAL_VEC(Vec3( 2.68205e+01, 2.46992e+02, 6.51925e-01), forces1[778], tol);
ASSERT_EQUAL_VEC(Vec3( 5.26229e+02, 1.10211e+02, 3.46425e+02), forces1[779], tol);
ASSERT_EQUAL_VEC(Vec3(-3.29259e+02, -3.87187e+02, 8.51738e+01), forces1[780], tol);
ASSERT_EQUAL_VEC(Vec3( 6.42840e+02, 2.34874e+02, 3.71367e+02), forces1[781], tol);
ASSERT_EQUAL_VEC(Vec3(-3.24670e+02, 5.64060e+02, -4.45941e+01), forces1[782], tol);
ASSERT_EQUAL_VEC(Vec3( 5.74639e+01, 1.20255e+02, -5.84555e+01), forces1[783], tol);
ASSERT_EQUAL_VEC(Vec3(-2.83818e+02, -2.10789e+02, 1.66016e+02), forces1[784], tol);
ASSERT_EQUAL_VEC(Vec3( 4.01586e+02, -2.85114e+02, 2.49462e+02), forces1[785], tol);
ASSERT_EQUAL_VEC(Vec3( 3.05493e+02, 7.04816e+02, -5.94585e+01), forces1[786], tol);
ASSERT_EQUAL_VEC(Vec3(-5.06832e+02, 3.13613e+02, -7.30025e+02), forces1[787], tol);
ASSERT_EQUAL_VEC(Vec3(-1.65633e+02, -1.02565e+02, -4.10514e+02), forces1[788], tol);
ASSERT_EQUAL_VEC(Vec3( 2.50011e+02, 9.82368e+02, 3.08282e+02), forces1[789], tol);
ASSERT_EQUAL_VEC(Vec3( 3.60209e+02, 3.06214e+02, 4.01448e+02), forces1[790], tol);
ASSERT_EQUAL_VEC(Vec3(-5.15566e+02, -3.80892e+02, -2.65987e+02), forces1[791], tol);
ASSERT_EQUAL_VEC(Vec3( 9.16906e+02, -2.70982e+02, 2.88897e+02), forces1[792], tol);
ASSERT_EQUAL_VEC(Vec3( 5.57959e+01, 1.28554e+02, 4.36834e+02), forces1[793], tol);
ASSERT_EQUAL_VEC(Vec3( 3.48851e+02, 3.63953e+02, 3.78555e+02), forces1[794], tol);
ASSERT_EQUAL_VEC(Vec3( 6.36621e+02, -1.91572e+02, 4.14270e+02), forces1[795], tol);
ASSERT_EQUAL_VEC(Vec3(-3.31253e+01, -1.47718e+02, 3.03786e+02), forces1[796], tol);
ASSERT_EQUAL_VEC(Vec3(-8.19713e+01, -5.66604e+02, -7.77410e+01), forces1[797], tol);
ASSERT_EQUAL_VEC(Vec3( 1.20358e+02, 3.66650e+02, -2.38055e+02), forces1[798], tol);
ASSERT_EQUAL_VEC(Vec3( 3.60706e+02, 4.45401e+02, -6.03554e+02), forces1[799], tol);
ASSERT_EQUAL_VEC(Vec3(-8.71329e+01, 1.63947e+02, -1.43935e+02), forces1[800], tol);
ASSERT_EQUAL_VEC(Vec3(-9.99017e+01, 1.95915e+01, -5.85374e+01), forces1[801], tol);
ASSERT_EQUAL_VEC(Vec3( 4.81470e+02, -7.03993e+01, -2.08008e+02), forces1[802], tol);
ASSERT_EQUAL_VEC(Vec3(-7.69394e+02, 5.40411e+01, 5.38431e+02), forces1[803], tol);
ASSERT_EQUAL_VEC(Vec3(-6.60820e+02, -1.87929e+02, 4.11990e+02), forces1[804], tol);
ASSERT_EQUAL_VEC(Vec3( 1.06278e+02, 3.55326e+02, -2.27795e+02), forces1[805], tol);
ASSERT_EQUAL_VEC(Vec3(-2.66101e+02, 2.41367e+02, -4.99250e+02), forces1[806], tol);
ASSERT_EQUAL_VEC(Vec3(-5.22955e+01, 9.33616e+01, 7.23845e+02), forces1[807], tol);
ASSERT_EQUAL_VEC(Vec3( 2.82637e+00, 6.04183e+01, 1.65509e+02), forces1[808], tol);
ASSERT_EQUAL_VEC(Vec3(-2.97247e+02, -5.53685e+01, 3.87138e+02), forces1[809], tol);
ASSERT_EQUAL_VEC(Vec3(-8.18648e+02, -2.66083e+02, 1.07281e+03), forces1[810], tol);
ASSERT_EQUAL_VEC(Vec3(-2.43734e+02, -2.51644e+02, 3.46336e+02), forces1[811], tol);
ASSERT_EQUAL_VEC(Vec3( 4.04771e+02, 1.12611e+02, -6.66755e+02), forces1[812], tol);
ASSERT_EQUAL_VEC(Vec3(-8.30809e+01, -9.75613e+01, -5.15283e+02), forces1[813], tol);
ASSERT_EQUAL_VEC(Vec3(-8.88969e+01, -2.43585e+02, -4.28237e+02), forces1[814], tol);
ASSERT_EQUAL_VEC(Vec3(-9.15331e+01, 4.50369e+02, -2.64187e+02), forces1[815], tol);
ASSERT_EQUAL_VEC(Vec3(-9.11685e+01, 4.24897e+02, -1.85102e+02), forces1[816], tol);
ASSERT_EQUAL_VEC(Vec3(-3.91181e+02, -6.86407e+02, 1.52727e+02), forces1[817], tol);
ASSERT_EQUAL_VEC(Vec3(-8.21105e+01, -2.49526e+02, 5.27526e+02), forces1[818], tol);
ASSERT_EQUAL_VEC(Vec3(-1.09397e+02, -6.29100e+02, 3.34949e+02), forces1[819], tol);
ASSERT_EQUAL_VEC(Vec3(-4.17364e+02, -9.10769e+01, -3.54884e+01), forces1[820], tol);
ASSERT_EQUAL_VEC(Vec3( 2.79520e+02, -5.39057e+02, 5.07383e+02), forces1[821], tol);
ASSERT_EQUAL_VEC(Vec3( 2.14808e+02, 1.92238e+01, -3.14844e+02), forces1[822], tol);
ASSERT_EQUAL_VEC(Vec3(-1.92606e+02, -4.26137e+02, -6.21690e+00), forces1[823], tol);
ASSERT_EQUAL_VEC(Vec3(-6.55144e+02, -4.86084e+02, -3.89405e+02), forces1[824], tol);
ASSERT_EQUAL_VEC(Vec3(-1.89858e+02, -3.77314e+02, -1.36225e+02), forces1[825], tol);
ASSERT_EQUAL_VEC(Vec3( 4.60006e+02, 1.99089e+02, 2.82592e+02), forces1[826], tol);
ASSERT_EQUAL_VEC(Vec3( 1.21553e+02, -1.21221e+02, 7.24045e+02), forces1[827], tol);
ASSERT_EQUAL_VEC(Vec3(-9.16961e+01, 7.09417e+01, 7.89088e+01), forces1[828], tol);
ASSERT_EQUAL_VEC(Vec3(-3.83816e+02, 8.44889e+01, 1.09603e+03), forces1[829], tol);
ASSERT_EQUAL_VEC(Vec3(-3.65376e+02, -1.88809e+02, 4.62338e+02), forces1[830], tol);
ASSERT_EQUAL_VEC(Vec3( 5.76327e+02, -9.42016e+01, -1.98144e+02), forces1[831], tol);
ASSERT_EQUAL_VEC(Vec3(-4.21543e+02, -5.96901e+01, -8.33520e+02), forces1[832], tol);
ASSERT_EQUAL_VEC(Vec3( 1.20308e+03, 4.53517e+02, 2.29384e+02), forces1[833], tol);
ASSERT_EQUAL_VEC(Vec3( 2.92105e+02, 4.13134e+01, -3.61124e+02), forces1[834], tol);
ASSERT_EQUAL_VEC(Vec3( 2.49880e+02, -1.26751e+02, 2.01746e+02), forces1[835], tol);
ASSERT_EQUAL_VEC(Vec3( 4.82079e+02, -4.36678e+02, 2.10916e+02), forces1[836], tol);
ASSERT_EQUAL_VEC(Vec3( 7.40340e+00, -3.07867e+02, -2.19268e+02), forces1[837], tol);
ASSERT_EQUAL_VEC(Vec3(-1.77931e+02, -1.78462e+02, 3.27369e+02), forces1[838], tol);
ASSERT_EQUAL_VEC(Vec3(-1.43493e+02, 2.36669e+02, 1.76242e+02), forces1[839], tol);
ASSERT_EQUAL_VEC(Vec3(-3.11001e+02, 3.30086e+01, 2.29454e+02), forces1[840], tol);
ASSERT_EQUAL_VEC(Vec3( 7.16440e+01, -1.42656e+00, -8.22932e+02), forces1[841], tol);
ASSERT_EQUAL_VEC(Vec3(-2.21653e+02, -4.50533e+01, -4.49967e+02), forces1[842], tol);
ASSERT_EQUAL_VEC(Vec3(-4.26325e+02, -2.93355e+02, 2.05051e+02), forces1[843], tol);
ASSERT_EQUAL_VEC(Vec3( 8.06715e+01, 3.83773e+02, 4.54367e+02), forces1[844], tol);
ASSERT_EQUAL_VEC(Vec3( 1.36370e+01, -1.12119e+02, -2.08559e+02), forces1[845], tol);
ASSERT_EQUAL_VEC(Vec3(-4.31375e+01, 1.28705e+02, 2.40993e+02), forces1[846], tol);
ASSERT_EQUAL_VEC(Vec3( 3.71930e+02, 3.66483e+02, -1.02572e+02), forces1[847], tol);
ASSERT_EQUAL_VEC(Vec3(-2.30298e+02, 7.54918e+02, 1.07591e+02), forces1[848], tol);
ASSERT_EQUAL_VEC(Vec3( 2.67868e+02, -1.52050e+01, -1.70085e+02), forces1[849], tol);
ASSERT_EQUAL_VEC(Vec3(-9.39293e+02, 5.64192e+01, -2.22390e+02), forces1[850], tol);
ASSERT_EQUAL_VEC(Vec3(-1.01320e+02, 3.31059e+02, 7.07374e+02), forces1[851], tol);
ASSERT_EQUAL_VEC(Vec3( 1.78173e+02, 8.50286e+01, -6.39943e+02), forces1[852], tol);
ASSERT_EQUAL_VEC(Vec3( 3.33072e+02, 9.10202e+01, 1.20449e+02), forces1[853], tol);
ASSERT_EQUAL_VEC(Vec3( 4.22307e+01, -7.37185e+02, 6.08442e+02), forces1[854], tol);
ASSERT_EQUAL_VEC(Vec3(-4.16912e+02, -4.82533e+02, 3.91904e+01), forces1[855], tol);
ASSERT_EQUAL_VEC(Vec3(-4.09092e+02, -1.95397e+02, -1.49049e+02), forces1[856], tol);
ASSERT_EQUAL_VEC(Vec3(-2.89402e+01, 3.78193e+02, 2.19684e+02), forces1[857], tol);
ASSERT_EQUAL_VEC(Vec3(-2.77581e+02, 7.90343e+01, 3.49462e+02), forces1[858], tol);
ASSERT_EQUAL_VEC(Vec3( 4.71062e+02, -1.88929e+02, -2.48123e+02), forces1[859], tol);
ASSERT_EQUAL_VEC(Vec3(-1.51510e+02, 4.96268e+01, -2.65476e+02), forces1[860], tol);
ASSERT_EQUAL_VEC(Vec3(-7.66386e+02, 8.46641e+01, -3.64816e+02), forces1[861], tol);
ASSERT_EQUAL_VEC(Vec3(-5.09778e+02, 2.10810e+01, 3.01816e+02), forces1[862], tol);
ASSERT_EQUAL_VEC(Vec3(-9.74895e+00, 7.12371e+01, 9.37892e+01), forces1[863], tol);
ASSERT_EQUAL_VEC(Vec3( 9.17307e+01, -4.41188e+02, -1.00390e+02), forces1[864], tol);
ASSERT_EQUAL_VEC(Vec3(-2.52934e+01, -1.90242e+02, 4.81585e+01), forces1[865], tol);
ASSERT_EQUAL_VEC(Vec3(-5.44265e+02, 2.54798e+02, -1.75185e+02), forces1[866], tol);
ASSERT_EQUAL_VEC(Vec3( 4.08129e+02, -1.23564e+02, -2.06955e+02), forces1[867], tol);
ASSERT_EQUAL_VEC(Vec3( 4.38403e+02, -1.73663e+02, 4.68123e+02), forces1[868], tol);
ASSERT_EQUAL_VEC(Vec3(-3.66073e+02, 3.32526e+02, 2.43522e+02), forces1[869], tol);
ASSERT_EQUAL_VEC(Vec3( 2.09695e+02, 2.98063e+02, -4.55262e+02), forces1[870], tol);
ASSERT_EQUAL_VEC(Vec3( 4.70466e+01, -8.03891e+01, 1.44535e+02), forces1[871], tol);
ASSERT_EQUAL_VEC(Vec3( 4.51402e+01, -3.68229e+02, 2.65397e+02), forces1[872], tol);
ASSERT_EQUAL_VEC(Vec3(-2.22430e+02, 4.99723e+02, 1.50953e+02), forces1[873], tol);
ASSERT_EQUAL_VEC(Vec3(-3.32916e+02, 7.08253e+02, -2.53294e+02), forces1[874], tol);
ASSERT_EQUAL_VEC(Vec3(-2.24293e+02, 3.61211e+02, 3.14058e+02), forces1[875], tol);
ASSERT_EQUAL_VEC(Vec3( 2.86069e+01, 3.62417e+02, -2.25939e+01), forces1[876], tol);
ASSERT_EQUAL_VEC(Vec3( 3.25305e+02, -8.59847e+01, 6.05371e+02), forces1[877], tol);
ASSERT_EQUAL_VEC(Vec3( 3.08168e+02, 2.08408e+02, -3.04918e+02), forces1[878], tol);
ASSERT_EQUAL_VEC(Vec3( 3.65569e+02, 1.38315e+02, 2.10354e+02), forces1[879], tol);
ASSERT_EQUAL_VEC(Vec3( 6.56765e+01, 4.57994e+02, -1.05220e+02), forces1[880], tol);
ASSERT_EQUAL_VEC(Vec3(-7.04583e+02, 1.95861e+02, 6.29259e+01), forces1[881], tol);
ASSERT_EQUAL_VEC(Vec3(-5.03165e+02, -4.91098e+02, 2.40840e+00), forces1[882], tol);
ASSERT_EQUAL_VEC(Vec3(-6.84653e+01, 8.09254e+01, 2.50208e+02), forces1[883], tol);
ASSERT_EQUAL_VEC(Vec3(-5.35069e+01, 1.91749e+02, -1.93660e+02), forces1[884], tol);
ASSERT_EQUAL_VEC(Vec3( 5.56345e+02, -6.69144e+02, -2.99821e+02), forces1[885], tol);
ASSERT_EQUAL_VEC(Vec3(-3.35809e+02, 5.18670e+01, -2.16408e+02), forces1[886], tol);
ASSERT_EQUAL_VEC(Vec3(-1.13154e+02, 6.23001e+02, -1.73934e+01), forces1[887], tol);
ASSERT_EQUAL_VEC(Vec3(-4.64234e+02, -2.03165e+02, 4.33719e+02), forces1[888], tol);
ASSERT_EQUAL_VEC(Vec3( 5.74659e+01, -4.61823e+02, -4.22519e+02), forces1[889], tol);
ASSERT_EQUAL_VEC(Vec3(-3.53687e+02, 1.03995e+02, 1.47418e+02), forces1[890], tol);
ASSERT_EQUAL_VEC(Vec3( 9.55591e+01, 4.15281e+02, 1.37721e+02), forces1[891], tol);
ASSERT_EQUAL_VEC(Vec3( 4.43132e+02, -3.70019e+01, -4.01946e+02), forces1[892], tol);
ASSERT_EQUAL_VEC(Vec3( 1.26695e+02, -2.55273e+02, 1.49235e+02), forces1[893], tol);
platforms/reference/tests/nacl_crystal.forces_ewald deleted 100644 → 0
View file @ b11af401
ASSERT_EQUAL_VEC(Vec3(-1.34723e-12, 1.34140e-13, -9.52623e-14), forcesEwald1[0], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.04187e-12, 2.68479e-13, -3.12203e-13), forcesEwald1[1], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.19033e-12, -2.72974e-13, -1.17325e-12), forcesEwald1[2], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.55500e-13, 3.03792e-13, -1.42362e-12), forcesEwald1[3], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.72329e-12, -1.44361e-13, -3.57021e-12), forcesEwald1[4], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.45922e-13, 1.29291e-12, 6.17080e-13), forcesEwald1[5], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.64509e-13, 9.44906e-13, 8.39154e-13), forcesEwald1[6], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.65557e-12, 8.83968e-13, 1.09292e-13), forcesEwald1[7], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.17223e-12, 1.34649e-12, 4.25484e-12), forcesEwald1[8], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.38017e-12, 3.13160e-13, -5.54905e-14), forcesEwald1[9], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.65712e-12, 1.97636e-13, -2.07437e-13), forcesEwald1[10], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.72962e-13, -1.92259e-13, -3.38762e-13), forcesEwald1[11], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.25799e-13, -3.83844e-13, -1.04405e-12), forcesEwald1[12], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.68674e-13, 8.89530e-14, -1.49909e-12), forcesEwald1[13], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.97125e-12, 6.85783e-14, -3.88406e-12), forcesEwald1[14], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.75429e-13, 1.39711e-12, 2.26411e-13), forcesEwald1[15], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.28125e-13, 8.52022e-13, 6.65930e-13), forcesEwald1[16], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.99108e-13, 7.44097e-13, 3.92401e-13), forcesEwald1[17], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.02361e-12, 1.49451e-12, 4.74191e-12), forcesEwald1[18], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.12980e-12, 1.38282e-12, 4.01078e-14), forcesEwald1[19], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.32736e-12, -1.05469e-12, -4.14514e-13), forcesEwald1[20], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.13226e-12, -8.07267e-13, -6.08231e-13), forcesEwald1[21], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.22023e-13, -9.49997e-13, -1.00993e-12), forcesEwald1[22], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.99632e-13, -7.41480e-13, -1.21048e-12), forcesEwald1[23], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.79014e-12, -9.71045e-13, -3.69459e-12), forcesEwald1[24], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.08707e-13, -2.45529e-13, -3.08884e-14), forcesEwald1[25], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.59015e-13, 7.16559e-14, 6.62334e-13), forcesEwald1[26], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.18263e-12, 1.22468e-13, 4.20933e-13), forcesEwald1[27], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.11959e-12, 8.49551e-13, 4.39294e-12), forcesEwald1[28], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.05160e-12, -2.96757e-14, 3.65713e-13), forcesEwald1[29], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.59724e-13, -1.60605e-12, -9.86531e-14), forcesEwald1[30], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.05984e-13, -1.11785e-12, -7.64274e-13), forcesEwald1[31], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.55805e-13, -1.50108e-12, -9.81712e-13), forcesEwald1[32], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.66341e-14, -1.00296e-12, -1.35849e-12), forcesEwald1[33], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.10287e-13, -1.24299e-12, -3.82802e-12), forcesEwald1[34], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.92278e-13, 4.41536e-12, 1.84342e-13), forcesEwald1[35], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.61828e-12, 4.78426e-12, 1.45710e-12), forcesEwald1[36], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.21839e-12, 4.47754e-12, 7.24406e-13), forcesEwald1[37], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.54978e-13, 4.95163e-12, 4.77626e-12), forcesEwald1[38], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.64235e-13, 4.54968e-12, 2.58644e-15), forcesEwald1[39], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.98308e-13, -3.99161e-12, -2.02835e-13), forcesEwald1[40], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.33096e-12, -3.97352e-12, -6.60652e-13), forcesEwald1[41], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.29278e-12, -3.39635e-12, -1.01322e-12), forcesEwald1[42], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.08283e-13, -3.82712e-12, -1.05139e-12), forcesEwald1[43], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.54470e-13, -3.96867e-12, -3.93860e-12), forcesEwald1[44], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.47320e-13, 2.47874e-13, 2.08057e-13), forcesEwald1[45], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.11910e-12, 6.46163e-13, 1.23157e-12), forcesEwald1[46], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.32007e-12, 4.61251e-13, 2.36073e-13), forcesEwald1[47], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.06413e-12, 2.19251e-13, 4.56446e-12), forcesEwald1[48], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.46004e-13, 1.69783e-13, -6.22071e-14), forcesEwald1[49], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.67018e-13, -3.71314e-14, 8.55534e-13), forcesEwald1[50], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.29704e-13, 1.37293e-13, 1.14150e-12), forcesEwald1[51], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.08639e-13, -3.67141e-14, 2.47374e-13), forcesEwald1[52], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.86071e-13, -3.44749e-14, 4.50460e-12), forcesEwald1[53], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.00385e-13, -2.05734e-13, 9.41300e-14), forcesEwald1[54], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.48031e-13, 6.40296e-13, -1.40348e-13), forcesEwald1[55], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.42020e-12, 8.67132e-13, 8.97016e-14), forcesEwald1[56], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.08867e-12, 8.46260e-13, -4.79358e-13), forcesEwald1[57], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.13990e-13, 6.94982e-13, -1.32009e-12), forcesEwald1[58], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.49356e-13, 1.00625e-12, -4.01459e-12), forcesEwald1[59], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.25064e-12, -8.36315e-13, 1.45543e-12), forcesEwald1[60], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.37190e-12, -8.54381e-13, 1.13288e-12), forcesEwald1[61], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.72423e-12, -8.64046e-13, 5.14782e-14), forcesEwald1[62], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.07622e-12, -3.00590e-13, 4.39532e-12), forcesEwald1[63], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.45700e-13, -3.34589e-13, -1.49226e-13), forcesEwald1[64], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.53461e-13, 1.52073e-12, -1.80047e-13), forcesEwald1[65], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.64532e-12, 2.46364e-13, -1.05348e-13), forcesEwald1[66], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.35154e-13, 2.98891e-13, -5.53406e-13), forcesEwald1[67], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.73793e-13, 1.26050e-12, -1.26111e-12), forcesEwald1[68], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.35320e-13, 1.44110e-12, -3.65450e-12), forcesEwald1[69], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.00840e-12, -1.03389e-12, 5.02917e-13), forcesEwald1[70], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.21551e-12, -1.13927e-12, 1.00202e-12), forcesEwald1[71], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.12268e-13, -9.65425e-13, 6.47425e-13), forcesEwald1[72], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.74999e-13, -8.24343e-13, 4.64881e-12), forcesEwald1[73], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.98446e-13, -5.67281e-13, 2.59942e-13), forcesEwald1[74], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.71788e-13, 2.59543e-13, -2.69816e-13), forcesEwald1[75], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.23881e-12, -3.48780e-13, -7.69104e-13), forcesEwald1[76], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.81792e-13, -1.98044e-13, -5.58744e-13), forcesEwald1[77], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.20574e-12, -1.68982e-13, -1.00188e-12), forcesEwald1[78], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.04826e-13, -1.66206e-13, -3.90233e-12), forcesEwald1[79], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.63465e-12, -1.43797e-12, 4.69215e-13), forcesEwald1[80], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.05861e-13, -1.82247e-12, 1.19679e-12), forcesEwald1[81], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.72438e-13, -1.99041e-12, 1.18511e-12), forcesEwald1[82], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.41910e-12, -8.24315e-13, 4.98937e-12), forcesEwald1[83], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.23625e-12, -1.02910e-12, 3.96699e-13), forcesEwald1[84], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.37137e-12, 4.24728e-12, -3.22115e-13), forcesEwald1[85], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.38814e-12, 4.16683e-12, -1.10826e-12), forcesEwald1[86], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.51735e-12, 4.30920e-12, -8.82845e-13), forcesEwald1[87], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.16235e-12, 4.74609e-12, -8.55254e-13), forcesEwald1[88], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.25398e-12, 4.39370e-12, -4.06978e-12), forcesEwald1[89], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.40566e-13, -3.91356e-12, 1.64866e-13), forcesEwald1[90], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.08776e-13, -3.17498e-12, 1.25186e-12), forcesEwald1[91], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.11432e-12, -3.65701e-12, 8.78652e-13), forcesEwald1[92], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.66637e-12, -3.84314e-12, 4.84266e-12), forcesEwald1[93], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.48737e-13, -4.26117e-12, 5.16300e-14), forcesEwald1[94], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.05342e-13, -9.60037e-14, -2.06479e-13), forcesEwald1[95], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.42397e-13, 7.37242e-13, -4.13033e-13), forcesEwald1[96], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.92404e-13, 1.25263e-12, -4.38857e-13), forcesEwald1[97], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.52195e-13, 7.79702e-14, -1.32223e-12), forcesEwald1[98], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.21133e-13, 3.04888e-13, -3.78376e-12), forcesEwald1[99], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.87744e-13, -3.39545e-13, -5.88670e-14), forcesEwald1[100], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.79312e-13, 2.95589e-13, -2.95655e-13), forcesEwald1[101], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.65128e-13, 1.85540e-13, -1.02954e-12), forcesEwald1[102], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.47731e-13, 9.38203e-15, -1.45146e-12), forcesEwald1[103], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.01718e-12, -3.38342e-13, -3.98201e-12), forcesEwald1[104], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.53112e-13, 6.13570e-13, 9.35603e-13), forcesEwald1[105], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.86670e-13, 1.68614e-12, 9.73381e-13), forcesEwald1[106], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.21188e-12, 1.13782e-12, -2.34965e-13), forcesEwald1[107], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.23343e-12, 1.11433e-12, 4.25538e-12), forcesEwald1[108], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.64055e-14, 3.20193e-13, -1.54854e-13), forcesEwald1[109], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.30625e-13, 3.52084e-14, -1.60719e-14), forcesEwald1[110], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.45256e-12, -2.77331e-13, 3.53604e-13), forcesEwald1[111], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.32249e-12, -4.30796e-13, -1.46617e-12), forcesEwald1[112], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.08700e-12, -2.39699e-13, -1.49238e-12), forcesEwald1[113], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.97877e-12, -2.02435e-13, -4.01586e-12), forcesEwald1[114], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.01468e-13, 1.31987e-12, 7.08478e-13), forcesEwald1[115], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.48909e-12, 5.03319e-13, 9.81999e-13), forcesEwald1[116], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.38017e-12, 8.53971e-13, -2.13805e-13), forcesEwald1[117], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.03144e-12, 1.83846e-12, 4.67913e-12), forcesEwald1[118], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.57513e-13, 1.44418e-12, 1.70269e-13), forcesEwald1[119], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.08523e-13, -7.21272e-13, -1.48621e-13), forcesEwald1[120], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.35208e-12, -1.28995e-12, -4.29402e-13), forcesEwald1[121], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.78873e-13, -1.51657e-12, -1.08298e-12), forcesEwald1[122], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.08183e-12, -7.63585e-13, -1.23231e-12), forcesEwald1[123], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.66143e-12, -8.85720e-13, -3.70843e-12), forcesEwald1[124], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.33872e-13, 1.84272e-13, -5.32969e-14), forcesEwald1[125], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.24508e-12, -1.41872e-13, 8.75351e-13), forcesEwald1[126], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.10569e-12, 2.57318e-13, 4.42092e-13), forcesEwald1[127], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.56922e-13, 1.23694e-12, 4.21423e-12), forcesEwald1[128], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.64719e-13, 5.12088e-13, 3.00122e-13), forcesEwald1[129], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.25530e-13, -9.61348e-13, -3.47446e-13), forcesEwald1[130], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.75918e-13, -1.29030e-12, -1.26076e-12), forcesEwald1[131], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.29993e-12, -1.19773e-12, -9.09430e-13), forcesEwald1[132], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.67123e-13, -9.81521e-13, -8.59986e-13), forcesEwald1[133], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.25599e-12, -6.07748e-13, -3.82951e-12), forcesEwald1[134], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.29827e-12, 4.44727e-12, -3.51689e-13), forcesEwald1[135], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.43950e-12, 4.88229e-12, 1.50953e-12), forcesEwald1[136], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.29613e-12, 4.31143e-12, 9.02967e-13), forcesEwald1[137], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.21593e-12, 4.94933e-12, 5.17844e-12), forcesEwald1[138], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.59197e-13, 4.48261e-12, -7.63818e-14), forcesEwald1[139], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.51687e-13, -4.20566e-12, -3.60474e-13), forcesEwald1[140], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.44576e-13, -3.91129e-12, -1.11006e-12), forcesEwald1[141], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.42619e-13, -3.37055e-12, -6.49133e-13), forcesEwald1[142], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.57668e-13, -3.94920e-12, -8.76077e-13), forcesEwald1[143], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.11334e-12, -4.38953e-12, -3.95794e-12), forcesEwald1[144], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.68225e-13, 3.55186e-13, 1.42017e-13), forcesEwald1[145], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.92998e-13, 9.93883e-13, 9.89052e-13), forcesEwald1[146], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.63659e-13, 5.66164e-13, 1.81266e-13), forcesEwald1[147], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.60482e-13, -2.55350e-13, 4.69046e-12), forcesEwald1[148], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.12009e-14, -2.44592e-13, -1.65299e-13), forcesEwald1[149], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.99054e-12, -2.02586e-14, 5.13777e-13), forcesEwald1[150], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.96081e-12, 4.06895e-13, 1.09490e-12), forcesEwald1[151], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.78605e-12, -1.48781e-13, 3.36415e-13), forcesEwald1[152], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.05115e-12, -1.95755e-13, 4.57933e-12), forcesEwald1[153], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.00861e-12, -4.68458e-13, 1.79787e-13), forcesEwald1[154], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.59340e-12, 1.39742e-13, -2.82456e-14), forcesEwald1[155], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.13954e-12, 9.43183e-13, 3.15334e-14), forcesEwald1[156], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.08149e-12, 7.19872e-13, -5.22045e-13), forcesEwald1[157], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.09037e-12, 8.02430e-13, -1.40255e-12), forcesEwald1[158], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.79504e-12, 6.66674e-13, -3.53467e-12), forcesEwald1[159], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.43377e-12, -9.19952e-13, 1.48261e-12), forcesEwald1[160], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.66136e-12, -5.48878e-13, 1.06638e-12), forcesEwald1[161], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.51961e-12, -6.22899e-13, -1.19945e-13), forcesEwald1[162], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.51469e-12, -4.63195e-13, 4.42469e-12), forcesEwald1[163], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.18180e-12, -5.43742e-14, -9.81693e-14), forcesEwald1[164], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.82559e-12, 1.15608e-12, -4.25365e-14), forcesEwald1[165], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.65948e-12, 2.44837e-13, -1.08492e-14), forcesEwald1[166], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.87871e-12, 3.60252e-13, -5.89245e-13), forcesEwald1[167], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.27725e-12, 1.01730e-12, -1.49699e-12), forcesEwald1[168], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.01080e-12, 1.15329e-12, -3.32915e-12), forcesEwald1[169], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.31646e-12, -1.13224e-12, 5.00254e-13), forcesEwald1[170], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.78056e-12, -1.71077e-12, 1.02036e-12), forcesEwald1[171], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.73027e-12, -8.66267e-13, 3.38774e-13), forcesEwald1[172], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.91274e-12, -6.43928e-13, 4.67283e-12), forcesEwald1[173], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.12985e-12, -7.70316e-13, -2.13368e-13), forcesEwald1[174], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.28065e-12, 3.01512e-13, -2.13259e-13), forcesEwald1[175], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.97084e-12, -3.76802e-13, -4.15953e-13), forcesEwald1[176], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.89709e-12, -1.37451e-13, -3.24284e-13), forcesEwald1[177], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.10099e-12, 3.06023e-13, -1.37334e-12), forcesEwald1[178], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.74880e-12, 5.65990e-13, -3.39394e-12), forcesEwald1[179], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.12715e-12, -1.20883e-12, 3.38132e-13), forcesEwald1[180], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.13240e-12, -1.72427e-12, 1.25160e-12), forcesEwald1[181], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.51837e-12, -1.70640e-12, 7.85029e-13), forcesEwald1[182], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.79627e-12, -7.65096e-13, 5.09514e-12), forcesEwald1[183], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.74639e-12, -8.68546e-13, 1.83061e-13), forcesEwald1[184], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.87764e-12, 4.76009e-12, -4.16386e-13), forcesEwald1[185], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.35590e-12, 4.17502e-12, -8.57249e-13), forcesEwald1[186], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.43636e-12, 4.46920e-12, -4.82890e-13), forcesEwald1[187], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.47157e-12, 4.99078e-12, -9.29737e-13), forcesEwald1[188], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.04933e-12, 4.52240e-12, -3.91909e-12), forcesEwald1[189], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.63376e-12, -3.91691e-12, -3.64947e-14), forcesEwald1[190], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.39823e-12, -3.81266e-12, 1.30169e-12), forcesEwald1[191], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.11319e-12, -4.04151e-12, 7.67023e-13), forcesEwald1[192], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.32694e-12, -4.18732e-12, 5.03254e-12), forcesEwald1[193], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.90542e-12, -4.37374e-12, -4.66693e-13), forcesEwald1[194], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.16785e-12, -3.18934e-14, -5.55061e-13), forcesEwald1[195], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.26396e-12, 5.66035e-13, -3.10030e-13), forcesEwald1[196], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.25126e-12, 5.72467e-13, -2.11380e-13), forcesEwald1[197], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.23035e-12, 1.93661e-13, -1.24038e-12), forcesEwald1[198], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.42116e-12, 1.39899e-13, -3.41229e-12), forcesEwald1[199], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.19079e-13, -7.47481e-14, -1.46029e-13), forcesEwald1[200], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.86879e-13, -1.06659e-13, -2.72618e-13), forcesEwald1[201], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.49901e-13, -6.93153e-14, -8.48206e-13), forcesEwald1[202], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.97287e-13, -1.31949e-13, -1.61305e-12), forcesEwald1[203], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.06168e-13, -3.81116e-13, -3.82605e-12), forcesEwald1[204], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.12391e-13, 8.10031e-13, 4.51256e-13), forcesEwald1[205], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.75905e-13, 1.28007e-12, 1.14283e-12), forcesEwald1[206], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.51410e-13, 8.91191e-13, 3.73505e-13), forcesEwald1[207], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.78406e-13, 1.11482e-12, 4.32852e-12), forcesEwald1[208], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.58994e-13, 2.95226e-13, 2.95886e-13), forcesEwald1[209], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.99678e-13, 2.34543e-13, 2.09998e-13), forcesEwald1[210], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.39715e-13, -2.40247e-13, -4.19421e-13), forcesEwald1[211], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.08544e-13, -2.87523e-13, -1.09144e-12), forcesEwald1[212], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.56819e-13, -2.00587e-13, -1.28046e-12), forcesEwald1[213], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.51593e-13, -2.27359e-13, -3.73533e-12), forcesEwald1[214], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.77645e-13, 1.23118e-12, 2.97541e-13), forcesEwald1[215], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.65966e-13, 1.13102e-12, 1.02486e-12), forcesEwald1[216], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.22079e-13, 1.08314e-12, 2.82750e-14), forcesEwald1[217], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.99812e-13, 1.68630e-12, 4.70139e-12), forcesEwald1[218], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.02738e-13, 1.20519e-12, 1.86207e-13), forcesEwald1[219], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.90647e-13, -1.09663e-12, 1.61836e-13), forcesEwald1[220], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.60276e-13, -1.08980e-12, -4.87767e-13), forcesEwald1[221], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.62442e-13, -1.17836e-12, -1.01698e-12), forcesEwald1[222], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.36783e-13, -6.60445e-13, -1.51339e-12), forcesEwald1[223], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.56063e-13, -1.01233e-12, -3.52163e-12), forcesEwald1[224], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.52438e-13, -1.51756e-13, -2.63168e-14), forcesEwald1[225], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.87899e-13, 1.59366e-13, 1.04341e-12), forcesEwald1[226], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.47429e-14, 4.47965e-13, 5.08753e-13), forcesEwald1[227], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.34277e-13, 1.35221e-12, 4.14791e-12), forcesEwald1[228], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.04870e-13, 2.92575e-13, -8.82576e-15), forcesEwald1[229], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.97173e-13, -1.30388e-12, -1.79529e-13), forcesEwald1[230], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.36095e-13, -1.09845e-12, -3.28645e-13), forcesEwald1[231], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.75874e-13, -1.08062e-12, -8.73160e-13), forcesEwald1[232], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.97078e-13, -7.17217e-13, -1.46014e-12), forcesEwald1[233], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.81722e-13, -4.47482e-13, -3.95952e-12), forcesEwald1[234], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.70476e-15, 4.66396e-12, 1.69245e-13), forcesEwald1[235], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.01457e-12, 4.65454e-12, 1.49946e-12), forcesEwald1[236], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.21129e-13, 4.24350e-12, 5.59764e-13), forcesEwald1[237], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.31672e-14, 5.21244e-12, 4.97468e-12), forcesEwald1[238], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.91151e-13, 4.59847e-12, -2.29153e-13), forcesEwald1[239], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.82770e-13, -3.66601e-12, -3.70501e-13), forcesEwald1[240], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.80744e-13, -4.09982e-12, -6.04401e-13), forcesEwald1[241], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.56104e-13, -3.65357e-12, -8.52869e-13), forcesEwald1[242], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.75827e-13, -3.71849e-12, -9.08450e-13), forcesEwald1[243], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.38089e-13, -3.86247e-12, -4.05425e-12), forcesEwald1[244], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.03437e-13, 2.86472e-13, -4.63077e-15), forcesEwald1[245], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.94655e-13, 6.21384e-13, 9.50734e-13), forcesEwald1[246], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.44386e-13, 3.26498e-13, 4.39297e-13), forcesEwald1[247], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.32830e-13, -1.29884e-13, 4.78000e-12), forcesEwald1[248], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.12624e-12, -1.44652e-13, -2.73799e-13), forcesEwald1[249], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.90783e-13, 5.98824e-14, 5.10842e-13), forcesEwald1[250], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.74093e-13, -1.44674e-13, 1.21045e-12), forcesEwald1[251], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.67533e-13, -3.07251e-13, 2.45042e-13), forcesEwald1[252], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.21731e-13, -2.55981e-13, 4.50258e-12), forcesEwald1[253], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.85277e-13, -6.34386e-14, 1.18780e-14), forcesEwald1[254], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.00988e-13, 7.16250e-13, -1.69531e-13), forcesEwald1[255], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.00928e-12, 1.02196e-12, -5.46624e-13), forcesEwald1[256], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.15772e-13, 6.51802e-13, -3.87783e-13), forcesEwald1[257], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.71671e-13, 9.58909e-13, -1.22453e-12), forcesEwald1[258], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.22625e-12, 8.26707e-13, -3.53506e-12), forcesEwald1[259], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.67353e-12, -8.12014e-13, 7.72711e-13), forcesEwald1[260], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.24209e-12, -2.88587e-13, 8.23384e-13), forcesEwald1[261], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.29224e-12, -5.23070e-13, 4.33861e-13), forcesEwald1[262], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.47184e-12, -4.56525e-13, 4.44351e-12), forcesEwald1[263], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.24368e-12, -1.09843e-13, 2.48341e-13), forcesEwald1[264], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.86105e-13, 1.19812e-12, -1.21010e-13), forcesEwald1[265], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.42276e-12, 6.39636e-13, -3.84757e-13), forcesEwald1[266], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.11347e-12, 9.49930e-13, -2.97598e-13), forcesEwald1[267], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.57654e-12, 1.57038e-12, -1.37500e-12), forcesEwald1[268], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.67580e-12, 1.43342e-12, -3.41406e-12), forcesEwald1[269], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.32300e-12, -1.45530e-12, 6.40174e-13), forcesEwald1[270], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.96142e-12, -1.25092e-12, 1.15285e-12), forcesEwald1[271], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.87442e-12, -1.40046e-12, 6.71139e-13), forcesEwald1[272], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.45188e-12, -7.57131e-13, 4.56078e-12), forcesEwald1[273], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.20987e-13, -1.49791e-12, 7.05872e-14), forcesEwald1[274], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.83057e-13, -2.42927e-13, -3.19048e-13), forcesEwald1[275], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.62590e-12, -6.43620e-13, -4.54024e-14), forcesEwald1[276], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.83244e-12, -1.46240e-13, -8.24035e-13), forcesEwald1[277], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.68258e-12, 1.20378e-13, -1.35907e-12), forcesEwald1[278], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.39769e-12, 7.62361e-14, -3.86531e-12), forcesEwald1[279], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.54695e-12, -1.35679e-12, 8.20788e-13), forcesEwald1[280], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.24682e-12, -1.61245e-12, 1.50056e-12), forcesEwald1[281], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.50133e-12, -1.87632e-12, 7.07787e-13), forcesEwald1[282], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.67689e-12, -1.14614e-12, 4.79907e-12), forcesEwald1[283], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.25221e-13, -1.26270e-12, 1.72793e-14), forcesEwald1[284], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.21087e-12, 4.13646e-12, -3.94798e-13), forcesEwald1[285], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.34870e-12, 3.81236e-12, -1.71897e-14), forcesEwald1[286], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.24325e-12, 3.78115e-12, -1.56549e-12), forcesEwald1[287], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.56128e-12, 4.46407e-12, -1.32017e-12), forcesEwald1[288], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.79896e-12, 4.04367e-12, -4.09519e-12), forcesEwald1[289], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.66324e-13, -3.34765e-12, 7.17441e-13), forcesEwald1[290], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.74519e-12, -3.78783e-12, 1.17048e-12), forcesEwald1[291], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.72279e-12, -3.91920e-12, 7.33048e-13), forcesEwald1[292], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.01630e-12, -4.00711e-12, 4.57713e-12), forcesEwald1[293], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.60372e-14, -3.59645e-12, -4.60442e-13), forcesEwald1[294], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.44663e-14, 2.39279e-13, -2.19033e-13), forcesEwald1[295], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.01488e-12, 3.88801e-13, -2.32534e-13), forcesEwald1[296], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.47365e-13, 4.20853e-13, -7.52461e-13), forcesEwald1[297], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.29121e-13, 2.91477e-13, -1.36139e-12), forcesEwald1[298], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.98133e-13, 3.74886e-13, -3.56859e-12), forcesEwald1[299], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.00857e-13, 3.20095e-13, -1.11971e-13), forcesEwald1[300], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.85192e-13, -4.68033e-13, -4.87599e-13), forcesEwald1[301], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.28527e-13, -5.14355e-13, -8.15904e-13), forcesEwald1[302], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.35176e-13, 1.69256e-13, -1.62788e-12), forcesEwald1[303], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.91781e-13, 7.01996e-14, -3.92916e-12), forcesEwald1[304], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.20457e-14, 7.08234e-13, 1.61323e-13), forcesEwald1[305], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.35176e-13, 4.75215e-13, 1.61760e-12), forcesEwald1[306], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.62016e-14, 6.61146e-13, 6.58689e-13), forcesEwald1[307], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.94497e-13, 1.29621e-12, 4.59120e-12), forcesEwald1[308], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.49907e-14, 8.58702e-13, 3.21233e-14), forcesEwald1[309], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.21891e-13, 1.46852e-13, -1.81299e-13), forcesEwald1[310], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.29127e-13, -2.69254e-15, -9.27365e-13), forcesEwald1[311], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.87542e-13, 1.26663e-13, -7.87571e-13), forcesEwald1[312], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.26122e-13, 2.35319e-13, -9.44791e-13), forcesEwald1[313], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.64879e-13, -1.90056e-13, -3.65717e-12), forcesEwald1[314], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.17090e-13, 1.13928e-12, -1.28503e-13), forcesEwald1[315], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.97044e-14, 1.56160e-12, 1.02318e-12), forcesEwald1[316], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.39322e-13, 1.63801e-12, 5.19624e-13), forcesEwald1[317], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.31462e-13, 1.72290e-12, 4.98948e-12), forcesEwald1[318], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.44567e-13, 1.10289e-12, -1.69122e-15), forcesEwald1[319], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.20119e-13, -1.65059e-12, -2.78951e-13), forcesEwald1[320], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.42969e-13, -1.38631e-12, -2.76229e-13), forcesEwald1[321], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.24604e-13, -5.70831e-13, -9.26237e-13), forcesEwald1[322], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.28409e-13, -5.07794e-13, -1.57492e-12), forcesEwald1[323], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.37376e-13, -1.11147e-12, -3.68615e-12), forcesEwald1[324], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.40485e-13, 3.21310e-13, 3.55920e-13), forcesEwald1[325], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.68729e-13, 6.90529e-13, 1.90420e-12), forcesEwald1[326], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.47181e-13, 7.11918e-13, 2.92080e-13), forcesEwald1[327], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.70607e-13, 9.54251e-13, 4.48571e-12), forcesEwald1[328], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.85270e-13, 3.40066e-14, -1.41445e-13), forcesEwald1[329], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.77581e-13, -1.76296e-12, -4.23836e-13), forcesEwald1[330], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.91709e-13, -9.94851e-13, 3.63096e-13), forcesEwald1[331], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.28810e-13, -6.95464e-13, -1.51097e-12), forcesEwald1[332], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.41719e-13, -1.14658e-12, -1.22575e-12), forcesEwald1[333], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.69732e-13, -1.02402e-12, -4.25272e-12), forcesEwald1[334], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.53461e-14, 4.53379e-12, 1.01142e-12), forcesEwald1[335], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.02976e-12, 4.62032e-12, 1.60437e-12), forcesEwald1[336], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.39522e-14, 4.44045e-12, -7.28874e-14), forcesEwald1[337], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.35041e-13, 4.85313e-12, 4.87142e-12), forcesEwald1[338], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.23303e-13, 4.70539e-12, -4.53487e-13), forcesEwald1[339], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.32502e-13, -3.64823e-12, -6.80330e-14), forcesEwald1[340], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.65790e-13, -4.21917e-12, 3.31857e-13), forcesEwald1[341], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.50741e-13, -4.27003e-12, -1.40061e-12), forcesEwald1[342], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.15468e-14, -3.68755e-12, -1.27676e-12), forcesEwald1[343], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.69949e-13, -3.87359e-12, -4.29792e-12), forcesEwald1[344], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.24275e-13, 3.47320e-13, 5.05833e-13), forcesEwald1[345], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.01122e-13, 1.04463e-13, 1.42052e-12), forcesEwald1[346], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.26810e-13, 4.88537e-13, 3.95001e-13), forcesEwald1[347], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.22873e-12, 3.52759e-13, 4.72833e-12), forcesEwald1[348], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.15358e-12, 2.32816e-13, -1.02579e-13), forcesEwald1[349], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.43452e-12, 2.03649e-13, 1.92953e-13), forcesEwald1[350], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.34242e-12, -4.72698e-13, 1.37796e-12), forcesEwald1[351], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.52685e-12, -2.65959e-13, 7.86049e-13), forcesEwald1[352], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.25756e-12, 2.08840e-13, 4.62071e-12), forcesEwald1[353], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.13361e-12, 3.05866e-13, 3.74681e-13), forcesEwald1[354], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.74341e-12, 1.00054e-12, -2.50829e-13), forcesEwald1[355], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.24985e-12, 3.17012e-13, -1.02278e-12), forcesEwald1[356], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.96519e-12, -1.41606e-13, -5.19542e-13), forcesEwald1[357], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.16875e-12, 4.42290e-13, -9.88932e-13), forcesEwald1[358], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.25925e-12, 9.64257e-13, -3.82212e-12), forcesEwald1[359], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.11908e-12, -4.90891e-13, -2.26599e-13), forcesEwald1[360], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.80761e-12, -4.22838e-13, 1.15280e-12), forcesEwald1[361], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.97495e-12, -5.04667e-13, 1.32124e-12), forcesEwald1[362], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.52715e-12, -2.08275e-13, 5.13581e-12), forcesEwald1[363], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.80614e-12, -1.30421e-13, 1.53021e-13), forcesEwald1[364], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.60409e-12, 9.03615e-13, -3.40853e-13), forcesEwald1[365], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.89575e-12, 1.31146e-12, -8.89475e-13), forcesEwald1[366], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.05818e-12, 1.36089e-12, -7.56428e-13), forcesEwald1[367], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.54418e-12, 1.26344e-12, -1.01118e-12), forcesEwald1[368], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.31174e-12, 1.62278e-12, -3.65979e-12), forcesEwald1[369], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.89494e-12, -1.77321e-12, 1.36320e-13), forcesEwald1[370], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.63328e-12, -1.32868e-12, 1.34734e-12), forcesEwald1[371], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.78477e-12, -1.51317e-12, 9.77555e-13), forcesEwald1[372], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.19511e-12, -1.11307e-12, 4.96457e-12), forcesEwald1[373], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.46440e-12, -1.61555e-12, -4.70400e-13), forcesEwald1[374], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.99848e-12, 1.26941e-13, -3.10656e-13), forcesEwald1[375], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.11033e-12, 9.41235e-13, -1.04775e-13), forcesEwald1[376], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.77744e-12, 8.23332e-13, -1.18781e-12), forcesEwald1[377], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.51040e-12, 2.62479e-13, -1.25999e-12), forcesEwald1[378], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.83978e-12, 1.22093e-13, -3.80627e-12), forcesEwald1[379], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.10120e-12, -1.36568e-12, 1.04403e-12), forcesEwald1[380], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.66331e-12, -6.85131e-13, 1.56795e-12), forcesEwald1[381], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.62585e-12, -1.26581e-12, 1.03111e-13), forcesEwald1[382], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.90204e-12, -1.57188e-12, 4.95891e-12), forcesEwald1[383], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.20884e-12, -1.73987e-12, -3.81965e-13), forcesEwald1[384], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.86471e-12, 4.46346e-12, -1.02610e-13), forcesEwald1[385], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.32753e-12, 4.29194e-12, 3.14574e-13), forcesEwald1[386], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.70383e-12, 4.32365e-12, -1.65005e-12), forcesEwald1[387], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.35030e-12, 4.26796e-12, -1.91362e-12), forcesEwald1[388], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.24700e-12, 4.39455e-12, -4.38560e-12), forcesEwald1[389], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.86908e-12, -3.67152e-12, 1.03768e-12), forcesEwald1[390], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.03574e-12, -4.91361e-12, 1.57582e-12), forcesEwald1[391], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.09355e-12, -4.36319e-12, 1.00918e-13), forcesEwald1[392], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.17427e-12, -3.84152e-12, 4.75949e-12), forcesEwald1[393], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.37850e-12, -3.84236e-12, -2.45604e-13), forcesEwald1[394], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.50024e-12, 7.15597e-14, -8.16641e-14), forcesEwald1[395], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.61987e-12, -3.99693e-13, -1.46895e-13), forcesEwald1[396], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.97558e-12, -3.68065e-13, -1.06069e-12), forcesEwald1[397], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.31263e-12, 6.61677e-14, -1.43698e-12), forcesEwald1[398], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.46959e-12, 4.43723e-13, -4.02541e-12), forcesEwald1[399], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.65355e-12, 3.95975e-13, 1.01311e-13), forcesEwald1[400], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.85016e-12, -6.20303e-15, -5.56212e-13), forcesEwald1[401], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.82249e-12, -4.88094e-13, -1.21382e-12), forcesEwald1[402], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.75182e-12, -7.44118e-14, -1.49277e-12), forcesEwald1[403], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.30683e-12, -1.51295e-14, -3.87995e-12), forcesEwald1[404], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.15898e-12, 6.67452e-13, 2.47480e-14), forcesEwald1[405], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.29782e-12, 1.17687e-13, 1.02848e-12), forcesEwald1[406], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.51883e-12, 3.68597e-13, 5.89730e-13), forcesEwald1[407], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.38671e-12, 8.95742e-13, 4.64907e-12), forcesEwald1[408], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.37259e-12, 7.35927e-13, 3.39048e-13), forcesEwald1[409], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.81453e-12, -3.39480e-13, -9.08799e-14), forcesEwald1[410], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.10647e-12, -4.37896e-13, -1.07780e-12), forcesEwald1[411], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.78850e-12, -2.21668e-13, -7.28946e-13), forcesEwald1[412], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.37520e-12, 2.83187e-13, -8.86007e-13), forcesEwald1[413], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.62303e-12, 3.28982e-15, -3.82018e-12), forcesEwald1[414], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.05607e-12, 1.10120e-12, -1.65016e-13), forcesEwald1[415], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.25810e-12, 1.57946e-12, 1.10439e-12), forcesEwald1[416], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.87668e-12, 1.54884e-12, 5.78782e-13), forcesEwald1[417], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.05995e-12, 1.54748e-12, 5.05423e-12), forcesEwald1[418], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.04811e-12, 1.19599e-12, -3.17768e-13), forcesEwald1[419], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.82387e-12, -1.36315e-12, -3.20366e-13), forcesEwald1[420], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.38295e-12, -5.15449e-13, -6.19557e-13), forcesEwald1[421], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.22671e-12, -9.17610e-13, -9.34959e-13), forcesEwald1[422], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.07999e-12, -1.04730e-12, -9.44297e-13), forcesEwald1[423], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.65432e-12, -1.25490e-12, -3.87190e-12), forcesEwald1[424], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.36573e-12, 4.83381e-14, 4.51036e-13), forcesEwald1[425], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.35918e-12, 6.48936e-13, 1.02437e-12), forcesEwald1[426], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.86258e-12, 4.54300e-13, 3.12748e-13), forcesEwald1[427], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.80574e-12, 4.65159e-13, 4.21251e-12), forcesEwald1[428], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.67587e-12, -2.53880e-13, -1.22370e-13), forcesEwald1[429], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.61996e-12, -1.80786e-12, 2.40749e-14), forcesEwald1[430], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.69686e-12, -1.09245e-12, 2.67605e-15), forcesEwald1[431], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.05927e-12, -9.42747e-13, -1.43402e-12), forcesEwald1[432], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.16269e-12, -1.15106e-12, -1.40968e-12), forcesEwald1[433], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.88272e-12, -1.40458e-12, -4.29182e-12), forcesEwald1[434], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.26496e-12, 4.54077e-12, 1.03067e-12), forcesEwald1[435], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.60941e-12, 4.79033e-12, 1.54185e-12), forcesEwald1[436], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.43574e-12, 4.24267e-12, -8.08309e-14), forcesEwald1[437], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.21274e-12, 5.06058e-12, 4.69779e-12), forcesEwald1[438], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.45577e-12, 4.62820e-12, -2.73750e-13), forcesEwald1[439], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.93296e-12, -3.67742e-12, 1.71131e-13), forcesEwald1[440], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.26715e-12, -4.07984e-12, -5.78532e-15), forcesEwald1[441], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.15850e-12, -3.87939e-12, -1.46592e-12), forcesEwald1[442], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.31305e-12, -3.61909e-12, -1.39736e-12), forcesEwald1[443], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.18604e-12, -3.66099e-12, -4.34015e-12), forcesEwald1[444], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.36147e-12, 4.47597e-13, 4.27429e-13), forcesEwald1[445], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.77912e-12, -7.74161e-15, 1.50805e-12), forcesEwald1[446], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.82810e-12, 2.23654e-13, 3.09573e-13), forcesEwald1[447], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.69096e-12, 2.09864e-13, 4.40560e-12), forcesEwald1[448], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.58386e-12, 5.90577e-13, 1.45066e-13), forcesEwald1[449], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.67545e-13, 2.66723e-13, 2.87936e-13), forcesEwald1[450], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.46363e-13, -4.71748e-14, 1.17036e-12), forcesEwald1[451], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.42887e-13, -2.92223e-13, -1.27504e-13), forcesEwald1[452], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.15256e-12, -4.32957e-15, 4.65917e-12), forcesEwald1[453], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.54462e-13, 1.68071e-13, -1.04775e-13), forcesEwald1[454], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.32446e-13, 1.55595e-13, -4.58073e-13), forcesEwald1[455], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.45105e-13, 4.00368e-13, -3.91231e-13), forcesEwald1[456], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.80761e-13, -1.04571e-13, -7.26342e-13), forcesEwald1[457], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.30509e-13, 6.00874e-13, -1.28037e-12), forcesEwald1[458], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.16667e-14, 9.90872e-13, -3.39197e-12), forcesEwald1[459], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.21531e-12, -1.04711e-12, 7.99287e-14), forcesEwald1[460], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.27196e-13, -6.44000e-13, 1.08024e-12), forcesEwald1[461], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.43697e-13, -5.03071e-13, 1.23109e-13), forcesEwald1[462], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.53819e-13, -1.74487e-13, 4.86822e-12), forcesEwald1[463], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.13828e-12, -9.74769e-14, -5.75249e-14), forcesEwald1[464], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.78626e-13, 1.14614e-12, -3.77621e-13), forcesEwald1[465], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.05770e-12, 9.97966e-13, -3.35126e-13), forcesEwald1[466], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.76943e-13, 8.60666e-13, -3.24260e-13), forcesEwald1[467], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.27279e-13, 1.32831e-12, -1.22436e-12), forcesEwald1[468], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.06508e-12, 1.23724e-12, -3.49680e-12), forcesEwald1[469], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.95398e-13, -1.18316e-12, 1.36978e-13), forcesEwald1[470], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.05020e-12, -1.17489e-12, 9.28207e-13), forcesEwald1[471], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.13069e-13, -1.21239e-12, 4.01385e-13), forcesEwald1[472], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.46125e-12, -6.82421e-13, 4.92440e-12), forcesEwald1[473], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.08477e-13, -1.33705e-12, -1.83981e-13), forcesEwald1[474], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.36550e-13, -4.65481e-13, -1.32918e-13), forcesEwald1[475], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.47764e-12, -6.12978e-13, -4.26802e-13), forcesEwald1[476], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.31212e-12, -2.57401e-13, -1.18715e-12), forcesEwald1[477], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.17126e-12, -3.86197e-13, -1.25896e-12), forcesEwald1[478], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.07961e-12, -7.58387e-13, -3.65056e-12), forcesEwald1[479], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.27873e-12, -1.48156e-12, 6.10790e-13), forcesEwald1[480], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.84363e-12, -1.60577e-12, 1.08286e-12), forcesEwald1[481], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.06594e-12, -1.64590e-12, 5.32135e-13), forcesEwald1[482], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.26084e-12, -1.33437e-12, 4.86637e-12), forcesEwald1[483], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.07273e-12, -1.73040e-12, 2.28958e-13), forcesEwald1[484], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.29495e-12, 4.43838e-12, -4.68431e-14), forcesEwald1[485], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.12006e-12, 4.23930e-12, -2.47453e-13), forcesEwald1[486], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.33605e-12, 4.77540e-12, -1.18793e-12), forcesEwald1[487], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.56001e-12, 5.10061e-12, -1.34966e-12), forcesEwald1[488], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.09717e-12, 4.62170e-12, -3.93053e-12), forcesEwald1[489], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.09615e-12, -3.69601e-12, 5.98408e-13), forcesEwald1[490], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.54383e-12, -3.69033e-12, 1.39409e-12), forcesEwald1[491], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.52142e-12, -3.46090e-12, -1.97019e-14), forcesEwald1[492], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.46491e-12, -3.39817e-12, 4.49683e-12), forcesEwald1[493], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.11613e-12, -3.69209e-12, -8.00944e-14), forcesEwald1[494], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.00709e-13, 4.15148e-13, -2.35865e-13), forcesEwald1[495], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.24062e-13, 2.49660e-13, 1.96352e-14), forcesEwald1[496], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.00236e-13, 2.14223e-13, -9.54781e-13), forcesEwald1[497], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.11210e-13, 1.84936e-13, -1.61151e-12), forcesEwald1[498], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.83425e-13, 3.37380e-13, -3.44943e-12), forcesEwald1[499], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.15326e-13, -4.10362e-13, -5.18694e-14), forcesEwald1[500], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.71909e-13, -6.46488e-13, 1.63327e-12), forcesEwald1[501], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.85771e-13, -3.47973e-13, 5.73959e-13), forcesEwald1[502], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.29804e-13, -2.05264e-13, 4.15464e-12), forcesEwald1[503], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.41330e-13, -5.49021e-13, 5.57230e-13), forcesEwald1[504], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.88040e-13, 5.88228e-13, 2.89777e-13), forcesEwald1[505], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.85382e-13, 1.13462e-12, -8.44640e-13), forcesEwald1[506], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.13532e-13, 8.30229e-13, -6.60917e-13), forcesEwald1[507], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.74371e-13, 8.91642e-13, -1.20786e-12), forcesEwald1[508], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.26763e-13, 1.03945e-12, -3.54870e-12), forcesEwald1[509], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.58896e-13, -6.92762e-13, 1.15589e-13), forcesEwald1[510], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.12923e-13, 3.52624e-13, 1.35174e-12), forcesEwald1[511], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.08815e-13, 5.52583e-13, 2.53025e-13), forcesEwald1[512], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.49207e-13, -6.04871e-13, 4.53848e-12), forcesEwald1[513], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.97182e-13, 4.61243e-14, 7.39156e-13), forcesEwald1[514], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.90191e-13, 2.18159e-12, 1.07119e-13), forcesEwald1[515], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.81154e-13, 2.17407e-12, -3.91994e-13), forcesEwald1[516], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.78502e-13, 2.49919e-12, -6.97596e-13), forcesEwald1[517], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.12444e-12, 2.40538e-12, -1.59152e-12), forcesEwald1[518], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.25460e-13, 2.17342e-12, -3.48025e-12), forcesEwald1[519], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.10464e-13, -8.57962e-13, 2.37749e-13), forcesEwald1[520], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.55243e-13, -5.33227e-13, 1.55917e-12), forcesEwald1[521], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.16703e-13, -6.62331e-13, 2.23631e-13), forcesEwald1[522], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.57888e-13, -7.58433e-13, 4.12597e-12), forcesEwald1[523], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.75691e-14, -1.59300e-12, 4.11472e-13), forcesEwald1[524], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.57283e-13, -1.15074e-13, 4.91614e-14), forcesEwald1[525], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.56585e-13, 8.54720e-14, -1.67408e-14), forcesEwald1[526], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.02257e-13, 2.93092e-13, -9.44249e-13), forcesEwald1[527], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.69984e-13, 6.08526e-13, -1.40570e-12), forcesEwald1[528], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.11227e-13, 5.50784e-14, -3.51872e-12), forcesEwald1[529], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.65968e-13, -1.04411e-12, 5.10309e-13), forcesEwald1[530], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.43040e-12, -1.30357e-12, 1.93159e-12), forcesEwald1[531], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.15093e-12, -1.20707e-12, 1.61796e-13), forcesEwald1[532], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.37297e-13, -1.54714e-12, 4.05093e-12), forcesEwald1[533], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.63904e-13, -6.15302e-13, 8.36408e-14), forcesEwald1[534], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.55000e-14, 4.73111e-12, -5.33667e-14), forcesEwald1[535], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.35564e-13, 4.47276e-12, -2.34307e-13), forcesEwald1[536], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.69944e-13, 4.57704e-12, -1.58902e-12), forcesEwald1[537], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.62892e-13, 5.18130e-12, -1.01161e-12), forcesEwald1[538], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.87993e-13, 4.55716e-12, -4.06829e-12), forcesEwald1[539], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.26259e-13, -3.78378e-12, 4.28902e-13), forcesEwald1[540], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.03974e-12, -3.97284e-12, 1.85539e-12), forcesEwald1[541], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.24815e-13, -3.57099e-12, 1.76014e-13), forcesEwald1[542], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.54249e-13, -4.17009e-12, 4.37443e-12), forcesEwald1[543], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.05573e-13, -3.53252e-12, 8.14256e-14), forcesEwald1[544], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.49244e-13, -9.62821e-14, 5.95868e-14), forcesEwald1[545], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.20071e-13, -4.14512e-13, -5.11231e-13), forcesEwald1[546], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.10365e-13, -2.27598e-13, -8.66046e-13), forcesEwald1[547], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.97930e-13, -2.38291e-13, -8.94229e-13), forcesEwald1[548], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.53819e-13, -7.35596e-14, -3.41119e-12), forcesEwald1[549], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.77184e-13, -1.39601e-13, -2.39067e-13), forcesEwald1[550], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.02714e-12, -7.50116e-13, -5.51786e-13), forcesEwald1[551], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.50251e-13, -7.31174e-13, 4.25463e-14), forcesEwald1[552], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.89161e-13, -5.33928e-13, -1.02116e-12), forcesEwald1[553], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.87953e-13, -4.91540e-13, -3.19305e-12), forcesEwald1[554], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.88286e-13, 1.05781e-12, 2.78563e-13), forcesEwald1[555], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.24472e-13, 6.52637e-13, 9.77886e-13), forcesEwald1[556], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.40196e-13, 1.09626e-12, 4.44337e-13), forcesEwald1[557], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.46385e-12, 1.06985e-12, 4.65127e-12), forcesEwald1[558], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.28252e-13, 1.24809e-12, 2.06887e-15), forcesEwald1[559], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.46850e-12, -8.69057e-13, -3.17962e-13), forcesEwald1[560], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.35386e-13, -5.30358e-13, -9.15348e-13), forcesEwald1[561], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.27480e-13, -3.77243e-13, 3.13270e-13), forcesEwald1[562], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.88148e-13, -7.02451e-13, -7.12132e-13), forcesEwald1[563], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.26270e-12, -1.07212e-12, -2.98300e-12), forcesEwald1[564], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.05498e-12, 1.13637e-12, 7.29844e-13), forcesEwald1[565], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.69643e-13, 1.33770e-12, 1.16107e-12), forcesEwald1[566], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.58607e-13, 1.59680e-12, 6.53133e-13), forcesEwald1[567], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.58429e-12, 1.44529e-12, 4.58465e-12), forcesEwald1[568], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.11147e-12, 9.89426e-13, 1.14582e-13), forcesEwald1[569], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.37983e-13, -5.54000e-13, -2.53821e-13), forcesEwald1[570], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.13163e-12, 3.40204e-13, -2.52202e-13), forcesEwald1[571], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.75191e-13, 1.13570e-13, 8.89369e-14), forcesEwald1[572], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.28632e-12, -1.15907e-12, -1.04924e-12), forcesEwald1[573], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.04508e-13, -8.77131e-13, -3.40053e-12), forcesEwald1[574], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.03607e-12, 8.36633e-13, 1.54984e-12), forcesEwald1[575], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.37196e-12, 7.53887e-13, 1.21645e-12), forcesEwald1[576], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.26427e-12, 4.83462e-13, 7.23859e-13), forcesEwald1[577], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.78692e-12, 7.74712e-13, 4.07982e-12), forcesEwald1[578], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.54116e-13, -4.80006e-13, -1.98272e-14), forcesEwald1[579], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.10133e-12, -1.66717e-12, -1.14426e-13), forcesEwald1[580], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.30073e-12, -1.53192e-12, 1.39275e-13), forcesEwald1[581], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.52299e-13, -1.52353e-12, -1.40052e-12), forcesEwald1[582], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.23551e-12, -1.13236e-12, -1.45685e-12), forcesEwald1[583], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.80823e-13, -1.63398e-12, -3.77983e-12), forcesEwald1[584], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.14071e-12, 3.59267e-12, 1.69424e-12), forcesEwald1[585], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.14995e-12, 3.47232e-12, 1.52275e-12), forcesEwald1[586], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.81397e-12, 3.02183e-12, 4.52850e-13), forcesEwald1[587], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.90881e-12, 3.15143e-12, 4.52328e-12), forcesEwald1[588], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.27441e-13, 3.96892e-12, -2.01708e-13), forcesEwald1[589], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.04502e-13, -2.93216e-12, -1.48254e-13), forcesEwald1[590], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.63371e-13, -3.16537e-12, 9.01213e-14), forcesEwald1[591], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.20890e-12, -3.72154e-12, -4.48416e-13), forcesEwald1[592], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.67546e-13, -3.42712e-12, -9.96353e-13), forcesEwald1[593], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.36378e-13, -3.52450e-12, -3.75902e-12), forcesEwald1[594], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.69979e-13, 2.69468e-13, 9.02015e-13), forcesEwald1[595], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.50191e-13, -1.50705e-13, 9.93609e-13), forcesEwald1[596], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.24579e-13, 2.45708e-13, 1.22148e-12), forcesEwald1[597], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.24611e-12, -4.01093e-13, 4.46156e-12), forcesEwald1[598], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.37023e-13, 2.23382e-13, 1.61411e-13), forcesEwald1[599], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.16877e-12, -1.19330e-13, 7.17833e-15), forcesEwald1[600], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.79408e-12, -1.00005e-12, 9.26870e-13), forcesEwald1[601], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.40025e-12, -5.43948e-13, 3.59285e-13), forcesEwald1[602], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.20417e-12, -1.08203e-13, 4.25439e-12), forcesEwald1[603], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.54855e-12, -1.00338e-13, 5.85795e-13), forcesEwald1[604], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.60004e-12, 1.23873e-12, -7.24598e-13), forcesEwald1[605], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.04283e-12, 9.81329e-13, -1.32322e-12), forcesEwald1[606], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.24866e-12, 8.16294e-13, -5.32943e-13), forcesEwald1[607], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.73241e-12, 1.43938e-12, -1.36809e-12), forcesEwald1[608], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.52733e-12, 1.13993e-12, -3.46590e-12), forcesEwald1[609], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.50384e-12, -8.44338e-13, -5.13232e-13), forcesEwald1[610], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.39445e-13, -2.34712e-13, 1.09243e-12), forcesEwald1[611], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.29333e-12, 9.39583e-14, 5.37660e-13), forcesEwald1[612], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.69274e-12, -4.66082e-13, 4.62243e-12), forcesEwald1[613], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.22849e-12, -4.76614e-13, 3.41450e-13), forcesEwald1[614], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.30853e-12, 1.13531e-12, -5.69939e-13), forcesEwald1[615], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.41036e-12, 1.96797e-12, -1.15685e-12), forcesEwald1[616], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.67208e-13, 2.55682e-12, -4.21220e-13), forcesEwald1[617], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.00811e-13, 2.26954e-12, -1.19238e-12), forcesEwald1[618], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.04678e-13, 1.70828e-12, -3.73085e-12), forcesEwald1[619], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.21619e-12, -5.06841e-13, 2.35906e-13), forcesEwald1[620], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.47070e-13, 3.05597e-13, 9.97127e-13), forcesEwald1[621], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.24540e-12, -1.55123e-13, 1.78753e-13), forcesEwald1[622], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.91583e-13, -8.56494e-13, 4.31094e-12), forcesEwald1[623], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.98903e-12, -8.34869e-13, 5.93364e-13), forcesEwald1[624], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.16087e-12, 3.69878e-13, -2.42753e-13), forcesEwald1[625], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.41983e-12, 9.13047e-13, -3.25026e-13), forcesEwald1[626], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.36901e-12, 1.13466e-12, -9.50349e-13), forcesEwald1[627], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.66201e-12, 9.75356e-13, -1.67214e-12), forcesEwald1[628], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.10296e-12, 2.60991e-13, -3.87561e-12), forcesEwald1[629], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.73063e-12, -1.97689e-12, 1.14721e-12), forcesEwald1[630], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.37649e-12, -1.14908e-12, 2.14218e-12), forcesEwald1[631], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.84177e-12, -1.25938e-12, -1.28291e-13), forcesEwald1[632], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.59600e-13, -1.42058e-12, 3.81698e-12), forcesEwald1[633], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.20507e-12, -1.53311e-12, -2.55285e-13), forcesEwald1[634], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.03683e-12, 4.21440e-12, 4.48272e-13), forcesEwald1[635], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.96429e-13, 4.09535e-12, 5.07684e-13), forcesEwald1[636], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.45123e-12, 4.11093e-12, -1.86303e-12), forcesEwald1[637], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.77987e-13, 4.35202e-12, -1.27750e-12), forcesEwald1[638], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.49164e-12, 4.21979e-12, -4.23127e-12), forcesEwald1[639], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.84254e-12, -3.18500e-12, 8.87546e-13), forcesEwald1[640], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.29749e-12, -4.13304e-12, 1.11810e-12), forcesEwald1[641], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.47890e-12, -3.77252e-12, -2.75827e-13), forcesEwald1[642], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.63030e-12, -4.28922e-12, 4.11596e-12), forcesEwald1[643], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.44502e-12, -2.84679e-12, 1.17908e-13), forcesEwald1[644], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.83249e-12, 2.75510e-13, -8.46467e-13), forcesEwald1[645], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.36579e-12, -6.04640e-13, -5.31901e-13), forcesEwald1[646], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.17769e-12, -6.35629e-13, -9.28992e-13), forcesEwald1[647], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.46793e-12, -3.65604e-13, -1.22935e-12), forcesEwald1[648], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.50463e-12, 3.58130e-13, -3.45943e-12), forcesEwald1[649], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.61220e-13, -2.24412e-14, -2.31915e-13), forcesEwald1[650], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.20551e-12, -6.77313e-13, -2.60132e-13), forcesEwald1[651], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.34220e-13, -7.11094e-13, -9.19821e-14), forcesEwald1[652], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.70684e-13, -2.32426e-14, -1.24292e-12), forcesEwald1[653], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.58158e-13, -6.29306e-14, -2.75253e-12), forcesEwald1[654], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.99919e-13, 8.91749e-13, -6.59182e-14), forcesEwald1[655], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.69172e-13, 2.62299e-13, 1.06276e-12), forcesEwald1[656], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.19322e-13, 6.80320e-13, 1.44138e-13), forcesEwald1[657], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.74210e-13, 1.46831e-12, 4.83020e-12), forcesEwald1[658], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.32233e-12, 9.03102e-13, -1.61872e-13), forcesEwald1[659], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.08464e-13, -5.21848e-14, -4.60709e-13), forcesEwald1[660], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.39871e-13, 2.14289e-13, -8.12105e-13), forcesEwald1[661], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.08212e-13, 3.02357e-13, 6.00259e-13), forcesEwald1[662], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.73319e-13, -1.77963e-13, -7.08385e-13), forcesEwald1[663], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.01484e-13, -5.59168e-13, -3.12160e-12), forcesEwald1[664], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.77214e-13, 1.50651e-12, 7.95760e-14), forcesEwald1[665], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.77960e-13, 1.75394e-12, 1.14468e-12), forcesEwald1[666], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.84149e-14, 1.49965e-12, 4.79034e-13), forcesEwald1[667], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.18157e-13, 1.50170e-12, 4.86261e-12), forcesEwald1[668], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.18285e-12, 1.28388e-12, -1.59203e-13), forcesEwald1[669], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.98000e-13, -7.67754e-13, -3.31809e-13), forcesEwald1[670], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.61357e-13, -1.32331e-13, -2.82814e-13), forcesEwald1[671], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.33165e-13, -2.55710e-13, -1.23066e-13), forcesEwald1[672], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.13479e-14, -9.77117e-13, -1.25105e-12), forcesEwald1[673], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.97163e-14, -8.97740e-13, -3.31874e-12), forcesEwald1[674], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.45556e-14, 3.79505e-13, 1.10565e-12), forcesEwald1[675], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.61714e-13, 4.61643e-13, 1.03318e-12), forcesEwald1[676], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.85266e-13, 3.65257e-13, 6.46543e-13), forcesEwald1[677], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.66901e-13, 7.39665e-13, 4.43105e-12), forcesEwald1[678], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.93623e-14, -6.77408e-13, -3.38277e-13), forcesEwald1[679], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.28211e-13, -2.02874e-12, -6.54386e-14), forcesEwald1[680], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.12852e-13, -1.35991e-12, 1.80742e-13), forcesEwald1[681], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.35290e-13, -1.62242e-12, -1.41504e-12), forcesEwald1[682], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.52466e-13, -1.78244e-12, -1.60590e-12), forcesEwald1[683], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.14049e-14, -1.75919e-12, -4.03888e-12), forcesEwald1[684], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.13980e-12, 3.89501e-12, 1.31760e-12), forcesEwald1[685], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.57688e-13, 3.52948e-12, 1.27795e-12), forcesEwald1[686], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.62959e-13, 3.18197e-12, 3.20209e-13), forcesEwald1[687], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.31840e-12, 3.13009e-12, 4.53343e-12), forcesEwald1[688], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.21690e-13, 4.00967e-12, 3.99441e-14), forcesEwald1[689], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.93649e-13, -2.76013e-12, 4.70845e-14), forcesEwald1[690], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.07469e-13, -3.59375e-12, 2.53858e-13), forcesEwald1[691], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.56758e-13, -3.78256e-12, -8.45988e-13), forcesEwald1[692], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.96838e-13, -3.77901e-12, -1.26644e-12), forcesEwald1[693], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.42506e-13, -3.35738e-12, -3.16145e-12), forcesEwald1[694], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.58836e-13, 1.10776e-13, 4.03271e-13), forcesEwald1[695], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.02189e-12, -9.05573e-14, 9.38284e-13), forcesEwald1[696], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.68646e-13, 5.00148e-13, 8.04692e-14), forcesEwald1[697], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.86131e-13, 1.20264e-13, 4.57801e-12), forcesEwald1[698], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.89934e-13, 4.47638e-13, 1.28815e-13), forcesEwald1[699], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.99164e-12, -3.79801e-13, 7.08188e-14), forcesEwald1[700], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.67358e-12, -6.62765e-13, 9.76994e-13), forcesEwald1[701], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.22896e-12, -3.88874e-13, 3.79650e-13), forcesEwald1[702], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.45203e-12, -8.83640e-14, 4.01405e-12), forcesEwald1[703], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.48531e-12, -1.19126e-13, 8.00841e-13), forcesEwald1[704], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.27188e-12, 6.95733e-13, -3.08107e-13), forcesEwald1[705], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.66575e-12, 1.19824e-12, -7.37712e-13), forcesEwald1[706], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.46697e-12, 9.80234e-13, -7.82710e-13), forcesEwald1[707], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.21456e-12, 1.32814e-12, -1.47054e-12), forcesEwald1[708], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.30571e-12, 1.06933e-12, -3.53824e-12), forcesEwald1[709], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.57715e-12, -8.27343e-13, 1.56135e-13), forcesEwald1[710], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.46564e-12, 1.17962e-13, 1.17415e-12), forcesEwald1[711], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.82368e-12, 4.67834e-13, 3.21495e-13), forcesEwald1[712], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.06293e-12, -2.46755e-13, 4.45100e-12), forcesEwald1[713], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.67001e-12, 2.86935e-14, 7.87122e-13), forcesEwald1[714], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.23914e-12, 1.46224e-12, -3.17737e-13), forcesEwald1[715], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.86593e-12, 1.87918e-12, -4.33402e-13), forcesEwald1[716], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.68501e-12, 2.06257e-12, -6.47975e-13), forcesEwald1[717], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.79754e-12, 2.04100e-12, -1.46864e-12), forcesEwald1[718], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.01505e-12, 1.71233e-12, -3.76199e-12), forcesEwald1[719], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.39311e-12, -3.24498e-13, 2.59170e-13), forcesEwald1[720], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.32890e-12, -3.50703e-13, 1.17479e-12), forcesEwald1[721], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.44984e-12, -3.42912e-13, 3.53757e-13), forcesEwald1[722], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.04374e-12, -8.61438e-13, 4.36434e-12), forcesEwald1[723], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.77012e-12, -7.65629e-13, 4.09464e-13), forcesEwald1[724], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.16767e-12, 5.94846e-13, -3.55463e-13), forcesEwald1[725], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.44431e-12, 8.95413e-13, -1.51736e-13), forcesEwald1[726], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.54641e-12, 6.60862e-13, -8.50097e-13), forcesEwald1[727], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.01995e-12, 6.08924e-13, -1.54568e-12), forcesEwald1[728], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.37647e-12, 3.03322e-13, -3.67489e-12), forcesEwald1[729], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.97691e-12, -1.04404e-12, 4.52109e-13), forcesEwald1[730], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.08870e-12, -1.28284e-12, 1.24915e-12), forcesEwald1[731], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.51305e-12, -1.38712e-12, 2.71914e-13), forcesEwald1[732], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.39656e-12, -1.59925e-12, 4.04036e-12), forcesEwald1[733], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.39265e-12, -1.53199e-12, 7.25515e-13), forcesEwald1[734], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.61075e-12, 4.22360e-12, 4.15384e-13), forcesEwald1[735], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.60556e-12, 3.98845e-12, -1.22890e-13), forcesEwald1[736], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.59773e-12, 4.43862e-12, -1.49993e-12), forcesEwald1[737], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.28206e-12, 4.63297e-12, -1.31355e-12), forcesEwald1[738], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.05348e-12, 4.39685e-12, -4.05381e-12), forcesEwald1[739], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.19618e-12, -3.67667e-12, 3.58142e-13), forcesEwald1[740], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.60613e-12, -3.77232e-12, 1.11167e-12), forcesEwald1[741], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.23039e-12, -3.50149e-12, 8.31962e-14), forcesEwald1[742], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.12584e-12, -4.39861e-12, 4.22605e-12), forcesEwald1[743], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.86309e-12, -3.47322e-12, 6.89931e-13), forcesEwald1[744], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.49601e-12, 4.79404e-14, -3.68849e-13), forcesEwald1[745], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.96715e-12, -2.31016e-13, -3.72582e-13), forcesEwald1[746], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.72801e-12, -2.35498e-13, -9.40875e-13), forcesEwald1[747], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.45657e-12, -3.50455e-14, -1.51928e-12), forcesEwald1[748], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.98804e-12, 1.06987e-13, -3.28448e-12), forcesEwald1[749], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.78006e-12, -3.05975e-13, -1.69076e-13), forcesEwald1[750], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.24942e-12, -1.39514e-13, -2.21323e-14), forcesEwald1[751], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.09698e-12, -3.00901e-13, -9.81040e-13), forcesEwald1[752], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.40124e-12, 1.38400e-13, -1.16950e-12), forcesEwald1[753], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.54085e-12, -3.80494e-13, -3.58560e-12), forcesEwald1[754], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.52806e-12, 8.88043e-13, 7.62866e-13), forcesEwald1[755], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.74829e-12, 5.99878e-13, 1.08296e-12), forcesEwald1[756], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.58574e-12, 1.04324e-12, 9.44426e-13), forcesEwald1[757], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.23199e-13, 1.47760e-12, 4.31692e-12), forcesEwald1[758], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.44560e-12, 7.59829e-13, -2.13015e-13), forcesEwald1[759], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.27760e-12, -3.74712e-13, -3.10963e-13), forcesEwald1[760], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.76872e-12, -4.57223e-13, 6.78192e-14), forcesEwald1[761], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.00655e-12, -1.77260e-13, -5.69698e-14), forcesEwald1[762], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.80564e-12, -2.98252e-13, -8.91258e-13), forcesEwald1[763], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.61888e-12, -8.31520e-13, -3.98671e-12), forcesEwald1[764], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.86828e-12, 1.57006e-12, 7.78433e-13), forcesEwald1[765], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.04169e-12, 1.32056e-12, 1.06027e-12), forcesEwald1[766], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.23581e-12, 2.06783e-12, 9.42628e-13), forcesEwald1[767], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.63590e-13, 1.43300e-12, 4.42826e-12), forcesEwald1[768], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.03292e-12, 2.18324e-12, -1.32302e-13), forcesEwald1[769], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.93050e-12, -9.98873e-13, -3.80140e-13), forcesEwald1[770], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.43231e-12, -2.66114e-13, -6.47603e-14), forcesEwald1[771], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.80922e-12, -8.94062e-13, -4.34513e-13), forcesEwald1[772], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.48361e-12, -1.41956e-12, -1.28401e-12), forcesEwald1[773], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.56376e-12, -1.49045e-12, -3.46317e-12), forcesEwald1[774], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.20093e-12, 1.03541e-12, 1.09984e-12), forcesEwald1[775], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.51051e-12, 3.93106e-13, 8.97047e-13), forcesEwald1[776], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.45644e-12, 2.83464e-13, 1.10223e-12), forcesEwald1[777], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.70121e-13, 8.11689e-13, 4.53124e-12), forcesEwald1[778], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.84143e-12, -8.05080e-14, 2.58716e-13), forcesEwald1[779], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.91281e-12, -1.19677e-12, 8.39371e-14), forcesEwald1[780], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.58510e-12, -1.79861e-12, -6.82651e-13), forcesEwald1[781], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.08403e-12, -2.01537e-12, -1.35037e-12), forcesEwald1[782], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.83551e-12, -1.53020e-12, -1.47752e-12), forcesEwald1[783], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.13917e-13, -1.14776e-12, -3.90807e-12), forcesEwald1[784], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.07063e-13, 2.97949e-12, 7.47662e-13), forcesEwald1[785], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.93937e-13, 3.09302e-12, 1.18884e-12), forcesEwald1[786], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.72532e-14, 2.76001e-12, 8.83582e-13), forcesEwald1[787], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.78059e-13, 3.24139e-12, 4.65688e-12), forcesEwald1[788], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.35350e-12, 3.41457e-12, 3.04687e-13), forcesEwald1[789], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.25891e-12, -3.39089e-12, -1.02256e-13), forcesEwald1[790], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.60516e-12, -3.44752e-12, -3.41671e-13), forcesEwald1[791], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.01454e-12, -3.36314e-12, -1.10390e-12), forcesEwald1[792], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.10311e-12, -3.64771e-12, -1.03130e-12), forcesEwald1[793], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.59831e-13, -3.67126e-12, -3.72363e-12), forcesEwald1[794], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.15240e-12, 2.98493e-13, 3.41320e-13), forcesEwald1[795], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.79202e-12, 4.65352e-13, 1.17207e-12), forcesEwald1[796], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.23757e-12, 5.59690e-13, 8.76988e-13), forcesEwald1[797], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.08332e-13, 1.93956e-13, 4.53500e-12), forcesEwald1[798], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.77516e-12, 1.15400e-13, 9.66166e-14), forcesEwald1[799], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.97762e-12, -3.13043e-13, 4.21191e-13), forcesEwald1[800], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.10803e-12, 1.08840e-13, 1.11871e-12), forcesEwald1[801], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.21537e-12, -2.06222e-13, 3.35818e-13), forcesEwald1[802], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.99064e-12, -1.78776e-13, 4.58602e-12), forcesEwald1[803], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.31683e-12, -5.52396e-13, 6.70895e-14), forcesEwald1[804], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.05009e-12, 3.41599e-13, -1.18074e-13), forcesEwald1[805], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.15969e-12, 1.40748e-12, 2.74744e-13), forcesEwald1[806], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.72044e-12, 1.76364e-12, -1.45286e-12), forcesEwald1[807], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.56275e-12, 1.61295e-12, -1.85990e-12), forcesEwald1[808], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.14973e-12, 7.44501e-13, -4.00088e-12), forcesEwald1[809], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.87027e-12, -4.20129e-14, 1.01473e-12), forcesEwald1[810], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.19698e-12, -7.14528e-14, 1.51807e-12), forcesEwald1[811], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.47828e-12, 6.83728e-14, 1.68182e-14), forcesEwald1[812], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.01074e-12, -4.22768e-13, 3.68383e-12), forcesEwald1[813], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.96805e-12, -3.11798e-13, -2.00074e-14), forcesEwald1[814], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.36076e-12, 2.35370e-12, 1.28469e-13), forcesEwald1[815], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.01906e-12, 1.77519e-12, 2.68063e-13), forcesEwald1[816], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.81989e-12, 1.94985e-12, -1.14959e-12), forcesEwald1[817], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.62309e-12, 1.99180e-12, -1.69723e-12), forcesEwald1[818], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.97671e-12, 2.13491e-12, -3.83738e-12), forcesEwald1[819], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.60790e-12, -3.60831e-13, 3.44633e-13), forcesEwald1[820], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.02746e-12, -8.23369e-13, 1.10416e-12), forcesEwald1[821], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.52108e-12, -7.68428e-13, 3.73931e-13), forcesEwald1[822], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.29787e-12, -1.36217e-12, 4.02564e-12), forcesEwald1[823], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.69650e-12, -8.04831e-13, 3.07781e-13), forcesEwald1[824], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.18551e-12, 9.49850e-13, 1.68290e-13), forcesEwald1[825], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.48256e-12, 7.26685e-13, -4.91940e-13), forcesEwald1[826], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.60926e-12, 8.40553e-13, -1.25653e-12), forcesEwald1[827], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.51492e-12, 7.14279e-13, -2.34099e-12), forcesEwald1[828], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.76696e-12, 8.35776e-13, -3.52940e-12), forcesEwald1[829], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.15543e-12, -6.42366e-13, 1.20425e-13), forcesEwald1[830], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.98630e-12, -1.13229e-12, 1.75569e-12), forcesEwald1[831], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.10700e-12, -1.15477e-12, 4.85525e-13), forcesEwald1[832], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.51383e-12, -9.19726e-13, 4.37944e-12), forcesEwald1[833], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.29682e-12, -7.32544e-13, 4.15952e-13), forcesEwald1[834], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.06503e-12, 3.60963e-12, 8.21941e-13), forcesEwald1[835], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.06017e-12, 3.77784e-12, -8.71446e-13), forcesEwald1[836], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.62119e-12, 3.90976e-12, -1.20776e-12), forcesEwald1[837], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.05476e-12, 4.67046e-12, -1.24154e-12), forcesEwald1[838], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.30132e-12, 4.53052e-12, -3.88911e-12), forcesEwald1[839], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.88928e-12, -4.10594e-12, 5.87493e-14), forcesEwald1[840], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.46181e-12, -3.80510e-12, 1.30368e-12), forcesEwald1[841], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.30418e-12, -2.87270e-12, 4.50905e-13), forcesEwald1[842], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.43945e-12, -4.07441e-12, 4.46718e-12), forcesEwald1[843], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.06772e-12, -3.38868e-12, 1.69666e-13), forcesEwald1[844], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.51981e-12, -2.28177e-13, -3.73788e-13), forcesEwald1[845], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.71147e-12, 3.09297e-13, -4.79081e-13), forcesEwald1[846], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.57510e-12, 1.54788e-13, -1.22213e-12), forcesEwald1[847], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.04510e-12, -1.47895e-13, -1.21769e-12), forcesEwald1[848], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.75380e-12, -1.89848e-13, -3.65973e-12), forcesEwald1[849], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.12718e-12, -6.49768e-13, -2.22088e-13), forcesEwald1[850], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.60631e-12, -3.25730e-13, -1.62416e-13), forcesEwald1[851], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.63628e-12, 1.19571e-13, -2.15271e-12), forcesEwald1[852], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.38290e-12, -1.83085e-13, -1.04891e-12), forcesEwald1[853], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.73642e-12, -5.54124e-13, -4.39830e-12), forcesEwald1[854], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.01400e-12, 4.34840e-13, 1.63760e-12), forcesEwald1[855], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.82115e-12, 1.12153e-12, 1.53372e-12), forcesEwald1[856], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.90606e-12, 1.30024e-12, -4.90542e-14), forcesEwald1[857], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.26122e-12, 5.13594e-13, 4.57136e-12), forcesEwald1[858], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.25024e-12, 4.92318e-13, -5.30841e-13), forcesEwald1[859], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.72232e-12, -4.54323e-13, -1.66350e-13), forcesEwald1[860], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.21228e-12, -3.10291e-13, 2.63965e-13), forcesEwald1[861], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.25565e-12, -4.49363e-13, -2.17764e-12), forcesEwald1[862], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.19226e-12, -4.30461e-13, -1.35455e-12), forcesEwald1[863], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.13131e-12, -7.82619e-13, -4.08940e-12), forcesEwald1[864], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.17050e-12, 2.39025e-12, 1.44825e-12), forcesEwald1[865], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.16229e-12, 8.61684e-13, 1.37371e-12), forcesEwald1[866], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.41651e-12, 1.83747e-12, 3.96139e-13), forcesEwald1[867], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.26605e-12, 1.40300e-12, 4.50623e-12), forcesEwald1[868], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.08376e-12, 2.11406e-12, -3.03807e-13), forcesEwald1[869], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.29801e-12, -1.27263e-12, -8.64572e-14), forcesEwald1[870], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.41057e-12, -1.39162e-12, -2.19908e-13), forcesEwald1[871], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.61698e-12, -1.35972e-12, -1.41747e-12), forcesEwald1[872], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.92136e-12, -1.31388e-12, -1.31896e-12), forcesEwald1[873], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.39799e-12, -1.35906e-12, -4.15195e-12), forcesEwald1[874], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.19767e-12, 6.81165e-13, 9.47989e-13), forcesEwald1[875], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.54486e-12, 4.25057e-13, 1.31552e-12), forcesEwald1[876], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.65016e-12, 8.93677e-13, 7.24588e-13), forcesEwald1[877], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.04483e-12, 9.28630e-13, 4.61289e-12), forcesEwald1[878], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.17787e-12, 7.15496e-13, 1.87668e-13), forcesEwald1[879], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.42473e-12, 3.18821e-14, -2.20037e-13), forcesEwald1[880], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.12981e-12, -9.12011e-13, -1.29895e-12), forcesEwald1[881], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.13664e-12, -1.80296e-12, -1.34190e-12), forcesEwald1[882], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.68086e-12, -1.28184e-12, -1.40307e-12), forcesEwald1[883], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.27523e-12, -4.53455e-13, -4.10601e-12), forcesEwald1[884], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.66621e-12, 3.55921e-12, -1.10519e-13), forcesEwald1[885], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.91980e-12, 3.37654e-12, 1.10698e-12), forcesEwald1[886], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.98515e-12, 3.12756e-12, 1.18676e-12), forcesEwald1[887], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.60379e-12, 4.22956e-12, 5.44837e-12), forcesEwald1[888], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.16117e-12, 3.79768e-12, 3.97747e-13), forcesEwald1[889], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.48189e-12, -4.25659e-12, -4.12137e-13), forcesEwald1[890], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.81451e-12, -3.93846e-12, -1.20785e-12), forcesEwald1[891], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.85877e-12, -3.67959e-12, -1.83263e-12), forcesEwald1[892], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.42036e-12, -3.95277e-12, -7.86036e-13), forcesEwald1[893], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.07289e-12, -4.23734e-12, -4.31077e-12), forcesEwald1[894], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.59465e-12, -3.21195e-13, 1.01826e-12), forcesEwald1[895], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.47669e-12, 1.10367e-13, 1.32832e-12), forcesEwald1[896], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.52223e-12, 1.80856e-14, 4.55301e-13), forcesEwald1[897], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.04399e-12, -4.57747e-13, 5.09564e-12), forcesEwald1[898], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.31017e-12, -7.31731e-13, -2.90418e-13), forcesEwald1[899], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.76754e-12, -4.07114e-13, 3.41817e-13), forcesEwald1[900], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.83688e-12, -7.23359e-15, 1.74565e-12), forcesEwald1[901], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.55439e-12, -1.80717e-13, 2.35915e-13), forcesEwald1[902], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.43185e-12, -3.46006e-13, 4.33030e-12), forcesEwald1[903], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.50682e-12, -5.88048e-13, -2.15048e-14), forcesEwald1[904], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.98756e-12, 3.89752e-13, 3.16431e-13), forcesEwald1[905], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.86895e-12, 1.49593e-12, -2.68612e-13), forcesEwald1[906], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.94453e-12, 1.30709e-12, -9.77387e-13), forcesEwald1[907], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.44713e-12, 1.21453e-12, -1.19492e-12), forcesEwald1[908], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.56160e-12, 8.99520e-13, -3.95932e-12), forcesEwald1[909], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.86438e-12, -6.48841e-13, 8.34489e-13), forcesEwald1[910], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.10551e-12, 1.53551e-14, 1.18689e-12), forcesEwald1[911], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.30708e-12, 4.92912e-14, -1.56632e-13), forcesEwald1[912], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.94442e-12, -5.77976e-13, 4.29005e-12), forcesEwald1[913], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.21516e-12, -2.47510e-13, 2.41431e-13), forcesEwald1[914], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.38711e-12, 2.58072e-12, 2.56502e-13), forcesEwald1[915], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.61427e-12, 1.60994e-12, 1.54900e-14), forcesEwald1[916], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.16086e-12, 1.70297e-12, -1.30621e-12), forcesEwald1[917], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.44753e-12, 2.35506e-12, -1.40969e-12), forcesEwald1[918], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.31142e-12, 2.24400e-12, -3.91029e-12), forcesEwald1[919], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.87711e-12, -9.80542e-13, 3.66135e-13), forcesEwald1[920], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.76118e-12, -1.11699e-12, 1.19261e-12), forcesEwald1[921], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.18419e-12, -7.42346e-13, 9.43832e-14), forcesEwald1[922], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.65570e-12, -8.32393e-13, 4.36830e-12), forcesEwald1[923], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.19159e-12, -1.00721e-12, 3.20027e-13), forcesEwald1[924], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.56819e-12, 7.73765e-13, 8.55383e-14), forcesEwald1[925], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.92888e-12, 4.11147e-13, -4.18027e-13), forcesEwald1[926], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.07977e-12, 3.55335e-13, -9.65623e-13), forcesEwald1[927], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.10019e-12, 6.95000e-13, -1.25049e-12), forcesEwald1[928], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.16041e-12, 7.40991e-13, -3.78109e-12), forcesEwald1[929], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.14604e-12, -9.73021e-13, 6.16754e-14), forcesEwald1[930], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.89739e-12, -1.39138e-12, 1.89967e-12), forcesEwald1[931], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.51146e-12, -1.04776e-12, 4.67684e-13), forcesEwald1[932], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.09900e-12, -1.06053e-12, 4.43149e-12), forcesEwald1[933], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.34563e-12, -3.85967e-13, -4.48952e-14), forcesEwald1[934], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.92230e-12, 4.41989e-12, -2.69639e-14), forcesEwald1[935], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.75444e-12, 4.26760e-12, -9.87491e-13), forcesEwald1[936], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.64323e-12, 4.41862e-12, -1.23581e-12), forcesEwald1[937], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.66794e-12, 4.95172e-12, -6.55200e-13), forcesEwald1[938], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.17874e-12, 4.88199e-12, -4.12277e-12), forcesEwald1[939], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.88732e-12, -3.69420e-12, 1.73780e-14), forcesEwald1[940], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.90298e-12, -3.44049e-12, 1.64743e-12), forcesEwald1[941], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.54119e-12, -3.46547e-12, 4.40448e-13), forcesEwald1[942], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.71037e-12, -4.03659e-12, 5.07883e-12), forcesEwald1[943], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.95321e-12, -3.73699e-12, 1.85053e-13), forcesEwald1[944], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.25689e-12, -3.47606e-13, -1.05847e-13), forcesEwald1[945], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.93705e-12, -4.42777e-14, -6.74335e-13), forcesEwald1[946], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.88650e-12, 1.22786e-13, -1.10910e-12), forcesEwald1[947], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.72501e-12, -3.93934e-13, -6.82509e-13), forcesEwald1[948], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.31199e-12, -1.54413e-13, -3.60040e-12), forcesEwald1[949], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.21059e-12, -5.01182e-13, -1.91674e-13), forcesEwald1[950], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.59324e-13, -3.98877e-13, -2.90642e-13), forcesEwald1[951], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.90052e-13, -1.45100e-13, -1.62371e-13), forcesEwald1[952], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.83107e-13, 4.22655e-14, -1.20668e-12), forcesEwald1[953], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.99133e-13, -4.63470e-13, -2.80937e-12), forcesEwald1[954], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.37279e-12, 7.15609e-13, 5.95548e-13), forcesEwald1[955], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.14260e-12, 5.32804e-13, 1.08352e-12), forcesEwald1[956], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.83324e-12, 4.23621e-13, 4.73270e-13), forcesEwald1[957], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.34251e-12, 6.28765e-13, 4.37042e-12), forcesEwald1[958], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.20425e-12, 3.25001e-13, -1.81933e-13), forcesEwald1[959], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.31953e-12, -3.21711e-13, -1.77854e-13), forcesEwald1[960], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.99395e-13, 1.49808e-13, -9.37201e-14), forcesEwald1[961], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.69985e-13, 4.41726e-14, -8.57487e-14), forcesEwald1[962], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.25729e-13, -6.55073e-13, -1.19896e-12), forcesEwald1[963], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.07973e-12, -7.09025e-13, -2.51077e-12), forcesEwald1[964], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.50558e-13, 1.29743e-12, 8.50588e-13), forcesEwald1[965], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.05950e-14, 1.28917e-12, 1.00069e-12), forcesEwald1[966], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.24437e-13, 2.05730e-12, 3.23430e-13), forcesEwald1[967], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.01535e-12, 1.54958e-12, 4.50290e-12), forcesEwald1[968], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.05996e-12, 1.74830e-12, 3.52671e-13), forcesEwald1[969], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.87354e-13, -9.16698e-13, -1.83253e-13), forcesEwald1[970], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.97440e-13, -3.98600e-13, 6.77768e-14), forcesEwald1[971], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.65999e-13, -4.55305e-13, -2.55094e-13), forcesEwald1[972], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.60673e-13, -1.26264e-12, -1.65663e-12), forcesEwald1[973], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.86058e-13, -1.06370e-12, -2.73017e-12), forcesEwald1[974], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.36819e-13, 3.92256e-13, 8.47419e-13), forcesEwald1[975], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.80301e-13, 4.63407e-14, 1.38628e-12), forcesEwald1[976], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.98222e-13, -1.01275e-13, 8.45154e-13), forcesEwald1[977], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.14666e-12, 1.04640e-12, 4.42555e-12), forcesEwald1[978], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.50915e-13, -3.28736e-14, -6.31594e-15), forcesEwald1[979], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.30892e-13, -1.30838e-12, -3.99828e-13), forcesEwald1[980], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.08581e-13, -1.14216e-12, -2.07203e-13), forcesEwald1[981], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.08417e-12, -1.87974e-12, -1.55037e-12), forcesEwald1[982], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.28334e-13, -1.08033e-12, -1.37696e-12), forcesEwald1[983], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.63116e-13, -7.45132e-13, -3.38410e-12), forcesEwald1[984], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.96293e-13, 3.95043e-12, 5.44156e-13), forcesEwald1[985], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.05572e-12, 3.54936e-12, 1.37220e-12), forcesEwald1[986], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.70267e-13, 3.04640e-12, 7.22949e-13), forcesEwald1[987], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.20212e-13, 4.09741e-12, 5.06374e-12), forcesEwald1[988], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.40740e-13, 3.67405e-12, -5.66798e-13), forcesEwald1[989], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.39430e-13, -2.75377e-12, -2.21028e-13), forcesEwald1[990], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.35793e-13, -2.73832e-12, -4.01296e-13), forcesEwald1[991], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.74333e-13, -2.99037e-12, -6.36548e-13), forcesEwald1[992], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.05541e-15, -3.61026e-12, -8.40540e-13), forcesEwald1[993], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.42106e-13, -4.10188e-12, -3.36982e-12), forcesEwald1[994], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.15796e-13, -7.69314e-14, 3.39012e-13), forcesEwald1[995], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.18692e-12, -2.25483e-13, 9.63790e-13), forcesEwald1[996], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.19276e-12, 4.82919e-14, 1.02449e-12), forcesEwald1[997], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.09072e-12, -2.56049e-13, 4.71664e-12), forcesEwald1[998], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.29054e-13, -3.26182e-13, 1.84928e-14), forcesEwald1[999], 10*TOL);
platforms/reference/tests/water.dat deleted 100644 → 0
View file @ b11af401
positions[0] = Vec3(0.230000,0.628000,0.113000);
positions[1] = Vec3(0.137000,0.626000,0.150000);
positions[2] = Vec3(0.231000,0.589000,0.021000);
positions[3] = Vec3(0.225000,0.275000,-0.866000);
positions[4] = Vec3(0.260000,0.258000,-0.774000);
positions[5] = Vec3(0.137000,0.230000,-0.878000);
positions[6] = Vec3(0.019000,0.368000,0.647000);
positions[7] = Vec3(-0.063000,0.411000,0.686000);
positions[8] = Vec3(-0.009000,0.295000,0.584000);
positions[9] = Vec3(0.569000,-0.587000,-0.697000);
positions[10] = Vec3(0.476000,-0.594000,-0.734000);
positions[11] = Vec3(0.580000,-0.498000,-0.653000);
positions[12] = Vec3(-0.307000,-0.351000,0.703000);
positions[13] = Vec3(-0.364000,-0.367000,0.784000);
positions[14] = Vec3(-0.366000,-0.341000,0.623000);
positions[15] = Vec3(-0.119000,0.618000,0.856000);
positions[16] = Vec3(-0.086000,0.712000,0.856000);
positions[17] = Vec3(-0.068000,0.564000,0.922000);
positions[18] = Vec3(-0.727000,0.703000,0.717000);
positions[19] = Vec3(-0.670000,0.781000,0.692000);
positions[20] = Vec3(-0.787000,0.729000,0.793000);
positions[21] = Vec3(-0.107000,0.607000,0.231000);
positions[22] = Vec3(-0.119000,0.594000,0.132000);
positions[23] = Vec3(-0.137000,0.526000,0.280000);
positions[24] = Vec3(0.768000,-0.718000,-0.839000);
positions[25] = Vec3(0.690000,-0.701000,-0.779000);
positions[26] = Vec3(0.802000,-0.631000,-0.875000);
positions[27] = Vec3(0.850000,0.798000,-0.039000);
positions[28] = Vec3(0.846000,0.874000,0.026000);
positions[29] = Vec3(0.872000,0.834000,-0.130000);
positions[30] = Vec3(0.685000,-0.850000,0.665000);
positions[31] = Vec3(0.754000,-0.866000,0.735000);
positions[32] = Vec3(0.612000,-0.793000,0.703000);
positions[33] = Vec3(0.686000,-0.701000,-0.059000);
positions[34] = Vec3(0.746000,-0.622000,-0.045000);
positions[35] = Vec3(0.600000,-0.670000,-0.100000);
positions[36] = Vec3(0.335000,-0.427000,-0.801000);
positions[37] = Vec3(0.257000,-0.458000,-0.854000);
positions[38] = Vec3(0.393000,-0.369000,-0.858000);
positions[39] = Vec3(-0.402000,-0.357000,-0.523000);
positions[40] = Vec3(-0.378000,-0.263000,-0.497000);
positions[41] = Vec3(-0.418000,-0.411000,-0.441000);
positions[42] = Vec3(0.438000,0.392000,-0.363000);
positions[43] = Vec3(0.520000,0.336000,-0.354000);
positions[44] = Vec3(0.357000,0.334000,-0.359000);
positions[45] = Vec3(-0.259000,0.447000,0.737000);
positions[46] = Vec3(-0.333000,0.493000,0.687000);
positions[47] = Vec3(-0.208000,0.515000,0.790000);
positions[48] = Vec3(0.231000,-0.149000,0.483000);
positions[49] = Vec3(0.265000,-0.072000,0.537000);
positions[50] = Vec3(0.275000,-0.149000,0.393000);
positions[51] = Vec3(-0.735000,-0.521000,-0.172000);
positions[52] = Vec3(-0.688000,-0.521000,-0.084000);
positions[53] = Vec3(-0.783000,-0.608000,-0.183000);
positions[54] = Vec3(0.230000,-0.428000,0.538000);
positions[55] = Vec3(0.204000,-0.332000,0.538000);
positions[56] = Vec3(0.159000,-0.482000,0.583000);
positions[57] = Vec3(0.240000,-0.771000,0.886000);
positions[58] = Vec3(0.254000,-0.855000,0.938000);
positions[59] = Vec3(0.185000,-0.707000,0.941000);
positions[60] = Vec3(0.620000,-0.076000,-0.423000);
positions[61] = Vec3(0.528000,-0.093000,-0.388000);
positions[62] = Vec3(0.648000,0.016000,-0.397000);
positions[63] = Vec3(0.606000,-0.898000,0.123000);
positions[64] = Vec3(0.613000,-0.814000,0.069000);
positions[65] = Vec3(0.652000,-0.885000,0.211000);
positions[66] = Vec3(-0.268000,0.114000,-0.382000);
positions[67] = Vec3(-0.286000,0.181000,-0.454000);
positions[68] = Vec3(-0.271000,0.160000,-0.293000);
positions[69] = Vec3(0.122000,0.643000,0.563000);
positions[70] = Vec3(0.077000,0.555000,0.580000);
positions[71] = Vec3(0.121000,0.697000,0.647000);
positions[72] = Vec3(-0.020000,-0.095000,0.359000);
positions[73] = Vec3(0.034000,-0.124000,0.439000);
positions[74] = Vec3(0.010000,-0.005000,0.330000);
positions[75] = Vec3(0.027000,-0.266000,0.117000);
positions[76] = Vec3(0.008000,-0.362000,0.138000);
positions[77] = Vec3(-0.006000,-0.208000,0.192000);
positions[78] = Vec3(-0.173000,0.922000,0.612000);
positions[79] = Vec3(-0.078000,0.893000,0.620000);
positions[80] = Vec3(-0.181000,0.987000,0.537000);
positions[81] = Vec3(-0.221000,-0.754000,0.432000);
positions[82] = Vec3(-0.135000,-0.752000,0.380000);
positions[83] = Vec3(-0.207000,-0.707000,0.520000);
positions[84] = Vec3(0.113000,0.737000,-0.265000);
positions[85] = Vec3(0.201000,0.724000,-0.220000);
positions[86] = Vec3(0.100000,0.834000,-0.287000);
positions[87] = Vec3(0.613000,-0.497000,0.726000);
positions[88] = Vec3(0.564000,-0.584000,0.735000);
positions[89] = Vec3(0.590000,-0.454000,0.639000);
positions[90] = Vec3(-0.569000,-0.634000,-0.439000);
positions[91] = Vec3(-0.532000,-0.707000,-0.497000);
positions[92] = Vec3(-0.517000,-0.629000,-0.354000);
positions[93] = Vec3(0.809000,0.004000,0.502000);
positions[94] = Vec3(0.849000,0.095000,0.493000);
positions[95] = Vec3(0.709000,0.012000,0.508000);
positions[96] = Vec3(0.197000,-0.886000,-0.598000);
positions[97] = Vec3(0.286000,-0.931000,-0.612000);
positions[98] = Vec3(0.124000,-0.951000,-0.617000);
positions[99] = Vec3(-0.337000,-0.863000,0.190000);
positions[100] = Vec3(-0.400000,-0.939000,0.203000);
positions[101] = Vec3(-0.289000,-0.845000,0.276000);
positions[102] = Vec3(-0.675000,-0.070000,-0.246000);
positions[103] = Vec3(-0.651000,-0.010000,-0.322000);
positions[104] = Vec3(-0.668000,-0.165000,-0.276000);
positions[105] = Vec3(0.317000,0.251000,-0.061000);
positions[106] = Vec3(0.388000,0.322000,-0.055000);
positions[107] = Vec3(0.229000,0.290000,-0.033000);
positions[108] = Vec3(-0.396000,-0.445000,-0.909000);
positions[109] = Vec3(-0.455000,-0.439000,-0.829000);
positions[110] = Vec3(-0.411000,-0.533000,-0.955000);
positions[111] = Vec3(-0.195000,-0.148000,0.572000);
positions[112] = Vec3(-0.236000,-0.171000,0.484000);
positions[113] = Vec3(-0.213000,-0.222000,0.637000);
positions[114] = Vec3(0.598000,0.729000,0.270000);
positions[115] = Vec3(0.622000,0.798000,0.202000);
positions[116] = Vec3(0.520000,0.762000,0.324000);
positions[117] = Vec3(-0.581000,0.345000,-0.918000);
positions[118] = Vec3(-0.667000,0.295000,-0.931000);
positions[119] = Vec3(-0.519000,0.291000,-0.862000);
positions[120] = Vec3(-0.286000,-0.200000,0.307000);
positions[121] = Vec3(-0.197000,-0.154000,0.310000);
positions[122] = Vec3(-0.307000,-0.224000,0.212000);
positions[123] = Vec3(0.807000,0.605000,-0.397000);
positions[124] = Vec3(0.760000,0.602000,-0.308000);
positions[125] = Vec3(0.756000,0.550000,-0.463000);
positions[126] = Vec3(-0.468000,0.469000,-0.188000);
positions[127] = Vec3(-0.488000,0.512000,-0.100000);
positions[128] = Vec3(-0.390000,0.407000,-0.179000);
positions[129] = Vec3(-0.889000,0.890000,-0.290000);
positions[130] = Vec3(-0.843000,0.806000,-0.319000);
positions[131] = Vec3(-0.945000,0.924000,-0.365000);
positions[132] = Vec3(-0.871000,0.410000,-0.620000);
positions[133] = Vec3(-0.948000,0.444000,-0.566000);
positions[134] = Vec3(-0.905000,0.359000,-0.699000);
positions[135] = Vec3(-0.821000,0.701000,0.429000);
positions[136] = Vec3(-0.795000,0.697000,0.525000);
positions[137] = Vec3(-0.906000,0.650000,0.415000);
positions[138] = Vec3(0.076000,0.811000,0.789000);
positions[139] = Vec3(0.175000,0.799000,0.798000);
positions[140] = Vec3(0.052000,0.906000,0.810000);
positions[141] = Vec3(0.130000,-0.041000,-0.291000);
positions[142] = Vec3(0.120000,-0.056000,-0.192000);
positions[143] = Vec3(0.044000,-0.005000,-0.327000);
positions[144] = Vec3(0.865000,0.348000,0.195000);
positions[145] = Vec3(0.924000,0.411000,0.146000);
positions[146] = Vec3(0.884000,0.254000,0.166000);
positions[147] = Vec3(-0.143000,0.585000,-0.031000);
positions[148] = Vec3(-0.169000,0.674000,-0.067000);
positions[149] = Vec3(-0.145000,0.517000,-0.104000);
positions[150] = Vec3(-0.500000,-0.718000,0.545000);
positions[151] = Vec3(-0.417000,-0.747000,0.497000);
positions[152] = Vec3(-0.549000,-0.651000,0.489000);
positions[153] = Vec3(0.550000,0.196000,0.885000);
positions[154] = Vec3(0.545000,0.191000,0.985000);
positions[155] = Vec3(0.552000,0.292000,0.856000);
positions[156] = Vec3(-0.854000,-0.406000,0.477000);
positions[157] = Vec3(-0.900000,-0.334000,0.425000);
positions[158] = Vec3(-0.858000,-0.386000,0.575000);
positions[159] = Vec3(0.351000,-0.061000,0.853000);
positions[160] = Vec3(0.401000,-0.147000,0.859000);
positions[161] = Vec3(0.416000,0.016000,0.850000);
positions[162] = Vec3(-0.067000,-0.796000,0.873000);
positions[163] = Vec3(-0.129000,-0.811000,0.797000);
positions[164] = Vec3(-0.119000,-0.785000,0.958000);
positions[165] = Vec3(-0.635000,-0.312000,-0.356000);
positions[166] = Vec3(-0.629000,-0.389000,-0.292000);
positions[167] = Vec3(-0.687000,-0.338000,-0.436000);
positions[168] = Vec3(0.321000,-0.919000,0.242000);
positions[169] = Vec3(0.403000,-0.880000,0.200000);
positions[170] = Vec3(0.294000,-1.001000,0.193000);
positions[171] = Vec3(-0.404000,0.735000,0.728000);
positions[172] = Vec3(-0.409000,0.670000,0.803000);
positions[173] = Vec3(-0.324000,0.794000,0.741000);
positions[174] = Vec3(0.461000,-0.596000,-0.135000);
positions[175] = Vec3(0.411000,-0.595000,-0.221000);
positions[176] = Vec3(0.398000,-0.614000,-0.059000);
positions[177] = Vec3(-0.751000,-0.086000,0.237000);
positions[178] = Vec3(-0.811000,-0.148000,0.287000);
positions[179] = Vec3(-0.720000,-0.130000,0.152000);
positions[180] = Vec3(0.202000,0.285000,-0.364000);
positions[181] = Vec3(0.122000,0.345000,-0.377000);
positions[182] = Vec3(0.192000,0.236000,-0.278000);
positions[183] = Vec3(-0.230000,-0.485000,0.081000);
positions[184] = Vec3(-0.262000,-0.391000,0.071000);
positions[185] = Vec3(-0.306000,-0.548000,0.069000);
positions[186] = Vec3(0.464000,-0.119000,0.323000);
positions[187] = Vec3(0.497000,-0.080000,0.409000);
positions[188] = Vec3(0.540000,-0.126000,0.258000);
positions[189] = Vec3(-0.462000,0.107000,0.426000);
positions[190] = Vec3(-0.486000,0.070000,0.336000);
positions[191] = Vec3(-0.363000,0.123000,0.430000);
positions[192] = Vec3(0.249000,-0.077000,-0.621000);
positions[193] = Vec3(0.306000,-0.142000,-0.571000);
positions[194] = Vec3(0.233000,-0.110000,-0.714000);
positions[195] = Vec3(-0.922000,-0.164000,0.904000);
positions[196] = Vec3(-0.842000,-0.221000,0.925000);
positions[197] = Vec3(-0.971000,-0.204000,0.827000);
positions[198] = Vec3(0.382000,0.700000,0.480000);
positions[199] = Vec3(0.427000,0.610000,0.477000);
positions[200] = Vec3(0.288000,0.689000,0.513000);
positions[201] = Vec3(-0.315000,0.222000,-0.133000);
positions[202] = Vec3(-0.320000,0.259000,-0.041000);
positions[203] = Vec3(-0.387000,0.153000,-0.145000);
positions[204] = Vec3(0.614000,0.122000,0.117000);
positions[205] = Vec3(0.712000,0.100000,0.124000);
positions[206] = Vec3(0.583000,0.105000,0.024000);
positions[207] = Vec3(0.781000,0.264000,-0.113000);
positions[208] = Vec3(0.848000,0.203000,-0.070000);
positions[209] = Vec3(0.708000,0.283000,-0.048000);
positions[210] = Vec3(0.888000,-0.348000,-0.667000);
positions[211] = Vec3(0.865000,-0.373000,-0.761000);
positions[212] = Vec3(0.949000,-0.417000,-0.628000);
positions[213] = Vec3(-0.511000,0.590000,-0.429000);
positions[214] = Vec3(-0.483000,0.547000,-0.344000);
positions[215] = Vec3(-0.486000,0.686000,-0.428000);
positions[216] = Vec3(0.803000,-0.460000,0.924000);
positions[217] = Vec3(0.893000,-0.446000,0.882000);
positions[218] = Vec3(0.732000,-0.458000,0.853000);
positions[219] = Vec3(0.922000,0.503000,0.899000);
positions[220] = Vec3(0.897000,0.494000,0.803000);
positions[221] = Vec3(0.970000,0.421000,0.930000);
positions[222] = Vec3(0.539000,0.064000,0.512000);
positions[223] = Vec3(0.458000,0.065000,0.570000);
positions[224] = Vec3(0.542000,0.147000,0.457000);
positions[225] = Vec3(-0.428000,-0.674000,0.041000);
positions[226] = Vec3(-0.396000,-0.750000,0.098000);
positions[227] = Vec3(-0.520000,-0.647000,0.071000);
positions[228] = Vec3(0.297000,0.035000,0.171000);
positions[229] = Vec3(0.346000,0.119000,0.150000);
positions[230] = Vec3(0.359000,-0.030000,0.216000);
positions[231] = Vec3(-0.927000,0.236000,0.480000);
positions[232] = Vec3(-0.975000,0.277000,0.402000);
positions[233] = Vec3(-0.828000,0.234000,0.461000);
positions[234] = Vec3(-0.786000,0.683000,-0.398000);
positions[235] = Vec3(-0.866000,0.622000,-0.395000);
positions[236] = Vec3(-0.705000,0.630000,-0.422000);
positions[237] = Vec3(-0.635000,-0.292000,0.793000);
positions[238] = Vec3(-0.614000,-0.218000,0.728000);
positions[239] = Vec3(-0.567000,-0.292000,0.866000);
positions[240] = Vec3(0.459000,-0.710000,0.741000);
positions[241] = Vec3(0.388000,-0.737000,0.806000);
positions[242] = Vec3(0.433000,-0.738000,0.648000);
positions[243] = Vec3(-0.591000,-0.065000,0.591000);
positions[244] = Vec3(-0.547000,-0.001000,0.527000);
positions[245] = Vec3(-0.641000,-0.013000,0.661000);
positions[246] = Vec3(-0.830000,0.549000,0.016000);
positions[247] = Vec3(-0.871000,0.631000,-0.023000);
positions[248] = Vec3(-0.766000,0.575000,0.089000);
positions[249] = Vec3(0.078000,0.556000,-0.476000);
positions[250] = Vec3(0.170000,0.555000,-0.517000);
positions[251] = Vec3(0.072000,0.630000,-0.409000);
positions[252] = Vec3(0.561000,0.222000,-0.715000);
positions[253] = Vec3(0.599000,0.138000,-0.678000);
positions[254] = Vec3(0.473000,0.241000,-0.671000);
positions[255] = Vec3(0.866000,0.454000,0.642000);
positions[256] = Vec3(0.834000,0.526000,0.580000);
positions[257] = Vec3(0.890000,0.373000,0.589000);
positions[258] = Vec3(-0.845000,0.039000,0.753000);
positions[259] = Vec3(-0.917000,0.044000,0.684000);
positions[260] = Vec3(-0.869000,-0.030000,0.822000);
positions[261] = Vec3(-0.433000,-0.689000,0.867000);
positions[262] = Vec3(-0.488000,-0.773000,0.860000);
positions[263] = Vec3(-0.407000,-0.660000,0.775000);
positions[264] = Vec3(-0.396000,0.590000,-0.870000);
positions[265] = Vec3(-0.426000,0.495000,-0.863000);
positions[266] = Vec3(-0.323000,0.606000,-0.804000);
positions[267] = Vec3(-0.005000,0.833000,0.377000);
positions[268] = Vec3(0.037000,0.769000,0.441000);
positions[269] = Vec3(-0.043000,0.782000,0.299000);
positions[270] = Vec3(0.488000,-0.477000,0.174000);
positions[271] = Vec3(0.401000,-0.492000,0.221000);
positions[272] = Vec3(0.471000,-0.451000,0.079000);
positions[273] = Vec3(-0.198000,-0.582000,0.657000);
positions[274] = Vec3(-0.099000,-0.574000,0.671000);
positions[275] = Vec3(-0.243000,-0.498000,0.688000);
positions[276] = Vec3(-0.472000,0.575000,0.078000);
positions[277] = Vec3(-0.526000,0.554000,0.159000);
positions[278] = Vec3(-0.381000,0.534000,0.087000);
positions[279] = Vec3(0.527000,0.256000,0.328000);
positions[280] = Vec3(0.554000,0.197000,0.253000);
positions[281] = Vec3(0.527000,0.351000,0.297000);
positions[282] = Vec3(-0.108000,-0.639000,-0.274000);
positions[283] = Vec3(-0.017000,-0.678000,-0.287000);
positions[284] = Vec3(-0.100000,-0.543000,-0.250000);
positions[285] = Vec3(-0.798000,-0.515000,-0.522000);
positions[286] = Vec3(-0.878000,-0.538000,-0.467000);
positions[287] = Vec3(-0.715000,-0.541000,-0.473000);
positions[288] = Vec3(-0.270000,-0.233000,-0.237000);
positions[289] = Vec3(-0.243000,-0.199000,-0.327000);
positions[290] = Vec3(-0.191000,-0.271000,-0.191000);
positions[291] = Vec3(-0.751000,-0.667000,-0.762000);
positions[292] = Vec3(-0.791000,-0.623000,-0.681000);
positions[293] = Vec3(-0.792000,-0.630000,-0.845000);
positions[294] = Vec3(-0.224000,-0.763000,-0.783000);
positions[295] = Vec3(-0.219000,-0.682000,-0.724000);
positions[296] = Vec3(-0.310000,-0.761000,-0.834000);
positions[297] = Vec3(0.915000,0.089000,-0.460000);
positions[298] = Vec3(0.940000,0.069000,-0.555000);
positions[299] = Vec3(0.987000,0.145000,-0.418000);
positions[300] = Vec3(-0.882000,-0.746000,-0.143000);
positions[301] = Vec3(-0.981000,-0.740000,-0.133000);
positions[302] = Vec3(-0.859000,-0.826000,-0.199000);
positions[303] = Vec3(0.705000,-0.812000,0.368000);
positions[304] = Vec3(0.691000,-0.805000,0.467000);
positions[305] = Vec3(0.789000,-0.863000,0.350000);
positions[306] = Vec3(0.410000,0.813000,-0.611000);
positions[307] = Vec3(0.496000,0.825000,-0.561000);
positions[308] = Vec3(0.368000,0.726000,-0.584000);
positions[309] = Vec3(-0.588000,0.386000,-0.600000);
positions[310] = Vec3(-0.567000,0.460000,-0.536000);
positions[311] = Vec3(-0.677000,0.403000,-0.643000);
positions[312] = Vec3(0.064000,-0.298000,-0.531000);
positions[313] = Vec3(0.018000,-0.216000,-0.565000);
positions[314] = Vec3(0.162000,-0.279000,-0.522000);
positions[315] = Vec3(0.367000,-0.762000,0.501000);
positions[316] = Vec3(0.360000,-0.679000,0.445000);
positions[317] = Vec3(0.371000,-0.842000,0.441000);
positions[318] = Vec3(0.566000,0.537000,0.865000);
positions[319] = Vec3(0.578000,0.603000,0.791000);
positions[320] = Vec3(0.612000,0.571000,0.948000);
positions[321] = Vec3(-0.610000,-0.514000,0.388000);
positions[322] = Vec3(-0.560000,-0.437000,0.428000);
positions[323] = Vec3(-0.705000,-0.512000,0.420000);
positions[324] = Vec3(-0.590000,-0.417000,-0.720000);
positions[325] = Vec3(-0.543000,-0.404000,-0.633000);
positions[326] = Vec3(-0.656000,-0.491000,-0.711000);
positions[327] = Vec3(-0.280000,0.639000,0.472000);
positions[328] = Vec3(-0.311000,0.700000,0.545000);
positions[329] = Vec3(-0.230000,0.691000,0.403000);
positions[330] = Vec3(0.354000,-0.352000,-0.533000);
positions[331] = Vec3(0.333000,-0.396000,-0.620000);
positions[332] = Vec3(0.451000,-0.326000,-0.530000);
positions[333] = Vec3(0.402000,0.751000,-0.264000);
positions[334] = Vec3(0.470000,0.806000,-0.311000);
positions[335] = Vec3(0.442000,0.663000,-0.237000);
positions[336] = Vec3(-0.275000,0.779000,-0.192000);
positions[337] = Vec3(-0.367000,0.817000,-0.197000);
positions[338] = Vec3(-0.215000,0.826000,-0.257000);
positions[339] = Vec3(-0.849000,0.105000,-0.092000);
positions[340] = Vec3(-0.843000,0.190000,-0.144000);
positions[341] = Vec3(-0.817000,0.029000,-0.149000);
positions[342] = Vec3(0.504000,0.050000,-0.122000);
positions[343] = Vec3(0.462000,-0.007000,-0.192000);
positions[344] = Vec3(0.438000,0.119000,-0.090000);
positions[345] = Vec3(0.573000,0.870000,-0.833000);
positions[346] = Vec3(0.617000,0.959000,-0.842000);
positions[347] = Vec3(0.510000,0.870000,-0.756000);
positions[348] = Vec3(-0.502000,0.862000,-0.817000);
positions[349] = Vec3(-0.577000,0.862000,-0.883000);
positions[350] = Vec3(-0.465000,0.770000,-0.808000);
positions[351] = Vec3(-0.653000,0.525000,0.275000);
positions[352] = Vec3(-0.640000,0.441000,0.329000);
positions[353] = Vec3(-0.682000,0.599000,0.335000);
positions[354] = Vec3(0.307000,0.213000,-0.631000);
positions[355] = Vec3(0.284000,0.250000,-0.541000);
positions[356] = Vec3(0.277000,0.118000,-0.637000);
positions[357] = Vec3(0.037000,-0.552000,-0.580000);
positions[358] = Vec3(0.090000,-0.601000,-0.512000);
positions[359] = Vec3(0.059000,-0.454000,-0.575000);
positions[360] = Vec3(0.732000,0.634000,-0.798000);
positions[361] = Vec3(0.791000,0.608000,-0.874000);
positions[362] = Vec3(0.704000,0.730000,-0.809000);
positions[363] = Vec3(-0.134000,-0.927000,-0.008000);
positions[364] = Vec3(-0.180000,-0.934000,-0.097000);
positions[365] = Vec3(-0.196000,-0.883000,0.058000);
positions[366] = Vec3(0.307000,0.063000,0.618000);
positions[367] = Vec3(0.296000,0.157000,0.651000);
positions[368] = Vec3(0.302000,-0.000000,0.695000);
positions[369] = Vec3(-0.240000,0.367000,0.374000);
positions[370] = Vec3(-0.238000,0.291000,0.438000);
positions[371] = Vec3(-0.288000,0.444000,0.414000);
positions[372] = Vec3(-0.839000,0.766000,-0.896000);
positions[373] = Vec3(-0.824000,0.787000,-0.800000);
positions[374] = Vec3(-0.869000,0.671000,-0.905000);
positions[375] = Vec3(-0.882000,-0.289000,-0.162000);
positions[376] = Vec3(-0.902000,-0.245000,-0.250000);
positions[377] = Vec3(-0.843000,-0.380000,-0.178000);
positions[378] = Vec3(-0.003000,-0.344000,-0.257000);
positions[379] = Vec3(0.011000,-0.317000,-0.352000);
positions[380] = Vec3(0.080000,-0.322000,-0.204000);
positions[381] = Vec3(0.350000,0.898000,-0.058000);
positions[382] = Vec3(0.426000,0.942000,-0.010000);
positions[383] = Vec3(0.385000,0.851000,-0.140000);
positions[384] = Vec3(-0.322000,0.274000,0.125000);
positions[385] = Vec3(-0.383000,0.199000,0.148000);
positions[386] = Vec3(-0.300000,0.326000,0.208000);
positions[387] = Vec3(-0.559000,0.838000,0.042000);
positions[388] = Vec3(-0.525000,0.745000,0.057000);
positions[389] = Vec3(-0.541000,0.865000,-0.053000);
positions[390] = Vec3(-0.794000,-0.529000,0.849000);
positions[391] = Vec3(-0.787000,-0.613000,0.794000);
positions[392] = Vec3(-0.732000,-0.460000,0.813000);
positions[393] = Vec3(0.319000,0.810000,-0.913000);
positions[394] = Vec3(0.412000,0.846000,-0.908000);
positions[395] = Vec3(0.313000,0.725000,-0.861000);
positions[396] = Vec3(0.339000,0.509000,-0.856000);
positions[397] = Vec3(0.287000,0.426000,-0.873000);
positions[398] = Vec3(0.416000,0.514000,-0.920000);
positions[399] = Vec3(0.511000,0.415000,-0.054000);
positions[400] = Vec3(0.493000,0.460000,0.034000);
positions[401] = Vec3(0.553000,0.480000,-0.117000);
positions[402] = Vec3(-0.724000,0.380000,-0.184000);
positions[403] = Vec3(-0.769000,0.443000,-0.120000);
positions[404] = Vec3(-0.631000,0.411000,-0.201000);
positions[405] = Vec3(-0.702000,0.207000,-0.385000);
positions[406] = Vec3(-0.702000,0.271000,-0.308000);
positions[407] = Vec3(-0.674000,0.255000,-0.468000);
positions[408] = Vec3(0.008000,-0.536000,0.200000);
positions[409] = Vec3(-0.085000,-0.515000,0.169000);
positions[410] = Vec3(0.018000,-0.635000,0.213000);
positions[411] = Vec3(0.088000,-0.061000,0.927000);
positions[412] = Vec3(0.046000,-0.147000,0.900000);
positions[413] = Vec3(0.182000,-0.058000,0.893000);
positions[414] = Vec3(0.504000,-0.294000,0.910000);
positions[415] = Vec3(0.570000,-0.220000,0.919000);
positions[416] = Vec3(0.548000,-0.373000,0.868000);
positions[417] = Vec3(-0.860000,0.796000,-0.624000);
positions[418] = Vec3(-0.819000,0.764000,-0.538000);
positions[419] = Vec3(-0.956000,0.769000,-0.627000);
positions[420] = Vec3(0.040000,0.544000,-0.748000);
positions[421] = Vec3(0.125000,0.511000,-0.789000);
positions[422] = Vec3(0.053000,0.559000,-0.650000);
positions[423] = Vec3(0.189000,0.520000,-0.140000);
positions[424] = Vec3(0.248000,0.480000,-0.210000);
positions[425] = Vec3(0.131000,0.591000,-0.181000);
positions[426] = Vec3(-0.493000,-0.912000,-0.202000);
positions[427] = Vec3(-0.454000,-0.823000,-0.182000);
positions[428] = Vec3(-0.483000,-0.932000,-0.299000);
positions[429] = Vec3(0.815000,0.572000,0.325000);
positions[430] = Vec3(0.822000,0.483000,0.279000);
positions[431] = Vec3(0.721000,0.606000,0.317000);
positions[432] = Vec3(-0.205000,0.604000,-0.656000);
positions[433] = Vec3(-0.243000,0.535000,-0.594000);
positions[434] = Vec3(-0.123000,0.568000,-0.700000);
positions[435] = Vec3(0.252000,-0.298000,-0.118000);
positions[436] = Vec3(0.222000,-0.241000,-0.042000);
positions[437] = Vec3(0.245000,-0.395000,-0.092000);
positions[438] = Vec3(0.671000,0.464000,-0.593000);
positions[439] = Vec3(0.637000,0.375000,-0.623000);
positions[440] = Vec3(0.697000,0.518000,-0.673000);
positions[441] = Vec3(0.930000,-0.184000,-0.397000);
positions[442] = Vec3(0.906000,-0.202000,-0.492000);
positions[443] = Vec3(0.960000,-0.090000,-0.387000);
positions[444] = Vec3(0.473000,0.500000,0.191000);
positions[445] = Vec3(0.534000,0.580000,0.195000);
positions[446] = Vec3(0.378000,0.531000,0.198000);
positions[447] = Vec3(0.159000,-0.725000,-0.396000);
positions[448] = Vec3(0.181000,-0.786000,-0.320000);
positions[449] = Vec3(0.169000,-0.774000,-0.482000);
positions[450] = Vec3(-0.515000,-0.803000,-0.628000);
positions[451] = Vec3(-0.491000,-0.866000,-0.702000);
positions[452] = Vec3(-0.605000,-0.763000,-0.646000);
positions[453] = Vec3(-0.560000,0.855000,0.309000);
positions[454] = Vec3(-0.646000,0.824000,0.351000);
positions[455] = Vec3(-0.564000,0.841000,0.210000);
positions[456] = Vec3(-0.103000,-0.115000,-0.708000);
positions[457] = Vec3(-0.042000,-0.085000,-0.781000);
positions[458] = Vec3(-0.141000,-0.204000,-0.730000);
positions[459] = Vec3(-0.610000,-0.131000,-0.734000);
positions[460] = Vec3(-0.526000,-0.126000,-0.788000);
positions[461] = Vec3(-0.633000,-0.227000,-0.716000);
positions[462] = Vec3(0.083000,-0.604000,-0.840000);
positions[463] = Vec3(0.078000,-0.605000,-0.740000);
positions[464] = Vec3(0.000000,-0.645000,-0.878000);
positions[465] = Vec3(0.688000,-0.200000,-0.146000);
positions[466] = Vec3(0.632000,-0.119000,-0.137000);
positions[467] = Vec3(0.740000,-0.196000,-0.232000);
positions[468] = Vec3(0.903000,0.086000,0.133000);
positions[469] = Vec3(0.954000,0.087000,0.047000);
positions[470] = Vec3(0.959000,0.044000,0.204000);
positions[471] = Vec3(-0.136000,0.135000,0.523000);
positions[472] = Vec3(-0.063000,0.118000,0.456000);
positions[473] = Vec3(-0.167000,0.048000,0.561000);
positions[474] = Vec3(-0.474000,-0.289000,0.477000);
positions[475] = Vec3(-0.407000,-0.277000,0.403000);
positions[476] = Vec3(-0.514000,-0.200000,0.500000);
positions[477] = Vec3(0.130000,-0.068000,-0.011000);
positions[478] = Vec3(0.089000,-0.142000,0.042000);
positions[479] = Vec3(0.194000,-0.017000,0.047000);
positions[480] = Vec3(-0.582000,0.927000,0.672000);
positions[481] = Vec3(-0.522000,0.846000,0.674000);
positions[482] = Vec3(-0.542000,0.996000,0.612000);
positions[483] = Vec3(0.830000,-0.589000,-0.440000);
positions[484] = Vec3(0.825000,-0.556000,-0.345000);
positions[485] = Vec3(0.744000,-0.570000,-0.486000);
positions[486] = Vec3(0.672000,-0.246000,0.154000);
positions[487] = Vec3(0.681000,-0.236000,0.055000);
positions[488] = Vec3(0.632000,-0.335000,0.175000);
positions[489] = Vec3(-0.212000,-0.142000,-0.468000);
positions[490] = Vec3(-0.159000,-0.132000,-0.552000);
positions[491] = Vec3(-0.239000,-0.052000,-0.434000);
positions[492] = Vec3(-0.021000,0.175000,-0.899000);
positions[493] = Vec3(0.018000,0.090000,-0.935000);
positions[494] = Vec3(-0.119000,0.177000,-0.918000);
positions[495] = Vec3(0.263000,0.326000,0.720000);
positions[496] = Vec3(0.184000,0.377000,0.686000);
positions[497] = Vec3(0.254000,0.311000,0.818000);
positions[498] = Vec3(-0.668000,-0.250000,0.031000);
positions[499] = Vec3(-0.662000,-0.343000,0.068000);
positions[500] = Vec3(-0.727000,-0.250000,-0.049000);
positions[501] = Vec3(0.822000,-0.860000,-0.490000);
positions[502] = Vec3(0.862000,-0.861000,-0.582000);
positions[503] = Vec3(0.832000,-0.768000,-0.450000);
positions[504] = Vec3(0.916000,0.910000,0.291000);
positions[505] = Vec3(0.979000,0.948000,0.223000);
positions[506] = Vec3(0.956000,0.827000,0.330000);
positions[507] = Vec3(-0.358000,-0.255000,0.044000);
positions[508] = Vec3(-0.450000,-0.218000,0.051000);
positions[509] = Vec3(-0.320000,-0.235000,-0.046000);
positions[510] = Vec3(0.372000,-0.574000,-0.372000);
positions[511] = Vec3(0.359000,-0.481000,-0.406000);
positions[512] = Vec3(0.288000,-0.626000,-0.385000);
positions[513] = Vec3(-0.248000,-0.570000,-0.573000);
positions[514] = Vec3(-0.188000,-0.567000,-0.493000);
positions[515] = Vec3(-0.323000,-0.506000,-0.560000);
positions[516] = Vec3(-0.823000,-0.764000,0.696000);
positions[517] = Vec3(-0.893000,-0.811000,0.750000);
positions[518] = Vec3(-0.764000,-0.832000,0.653000);
positions[519] = Vec3(-0.848000,0.236000,-0.891000);
positions[520] = Vec3(-0.856000,0.200000,-0.984000);
positions[521] = Vec3(-0.850000,0.160000,-0.826000);
positions[522] = Vec3(0.590000,-0.375000,0.491000);
positions[523] = Vec3(0.632000,-0.433000,0.421000);
positions[524] = Vec3(0.546000,-0.296000,0.447000);
positions[525] = Vec3(-0.153000,0.385000,-0.481000);
positions[526] = Vec3(-0.080000,0.454000,-0.477000);
positions[527] = Vec3(-0.125000,0.310000,-0.540000);
positions[528] = Vec3(0.255000,-0.514000,0.290000);
positions[529] = Vec3(0.159000,-0.513000,0.263000);
positions[530] = Vec3(0.267000,-0.461000,0.374000);
positions[531] = Vec3(0.105000,-0.849000,-0.136000);
positions[532] = Vec3(0.028000,-0.882000,-0.082000);
positions[533] = Vec3(0.190000,-0.879000,-0.094000);
positions[534] = Vec3(0.672000,0.203000,-0.373000);
positions[535] = Vec3(0.762000,0.187000,-0.413000);
positions[536] = Vec3(0.680000,0.208000,-0.274000);
positions[537] = Vec3(0.075000,0.345000,0.033000);
positions[538] = Vec3(-0.017000,0.317000,0.004000);
positions[539] = Vec3(0.106000,0.422000,-0.023000);
positions[540] = Vec3(-0.422000,0.856000,-0.464000);
positions[541] = Vec3(-0.479000,0.908000,-0.527000);
positions[542] = Vec3(-0.326000,0.868000,-0.488000);
positions[543] = Vec3(0.072000,0.166000,0.318000);
positions[544] = Vec3(0.055000,0.249000,0.264000);
positions[545] = Vec3(0.162000,0.129000,0.296000);
positions[546] = Vec3(-0.679000,-0.527000,0.119000);
positions[547] = Vec3(-0.778000,-0.538000,0.121000);
positions[548] = Vec3(-0.645000,-0.512000,0.212000);
positions[549] = Vec3(0.613000,0.842000,-0.431000);
positions[550] = Vec3(0.669000,0.923000,-0.448000);
positions[551] = Vec3(0.672000,0.762000,-0.428000);
positions[552] = Vec3(-0.369000,-0.095000,-0.903000);
positions[553] = Vec3(-0.336000,-0.031000,-0.972000);
positions[554] = Vec3(-0.303000,-0.101000,-0.828000);
positions[555] = Vec3(0.716000,0.565000,-0.154000);
positions[556] = Vec3(0.735000,0.630000,-0.080000);
positions[557] = Vec3(0.776000,0.485000,-0.145000);
positions[558] = Vec3(-0.412000,-0.642000,-0.229000);
positions[559] = Vec3(-0.421000,-0.652000,-0.130000);
positions[560] = Vec3(-0.316000,-0.649000,-0.255000);
positions[561] = Vec3(0.390000,-0.121000,-0.302000);
positions[562] = Vec3(0.299000,-0.080000,-0.304000);
positions[563] = Vec3(0.383000,-0.215000,-0.270000);
positions[564] = Vec3(-0.188000,0.883000,-0.608000);
positions[565] = Vec3(-0.215000,0.794000,-0.645000);
positions[566] = Vec3(-0.187000,0.951000,-0.681000);
positions[567] = Vec3(-0.637000,0.325000,0.449000);
positions[568] = Vec3(-0.572000,0.251000,0.438000);
positions[569] = Vec3(-0.617000,0.375000,0.533000);
positions[570] = Vec3(0.594000,0.745000,0.652000);
positions[571] = Vec3(0.644000,0.830000,0.633000);
positions[572] = Vec3(0.506000,0.747000,0.604000);
positions[573] = Vec3(-0.085000,0.342000,-0.220000);
positions[574] = Vec3(-0.102000,0.373000,-0.314000);
positions[575] = Vec3(-0.169000,0.305000,-0.182000);
positions[576] = Vec3(-0.132000,-0.928000,-0.345000);
positions[577] = Vec3(-0.094000,-0.837000,-0.330000);
positions[578] = Vec3(-0.140000,-0.945000,-0.444000);
positions[579] = Vec3(0.859000,-0.488000,0.016000);
positions[580] = Vec3(0.813000,-0.473000,0.104000);
positions[581] = Vec3(0.903000,-0.403000,-0.014000);
positions[582] = Vec3(0.661000,-0.072000,-0.909000);
positions[583] = Vec3(0.615000,0.016000,-0.922000);
positions[584] = Vec3(0.760000,-0.060000,-0.916000);
positions[585] = Vec3(-0.454000,-0.011000,-0.142000);
positions[586] = Vec3(-0.550000,-0.022000,-0.169000);
positions[587] = Vec3(-0.398000,-0.078000,-0.190000);
positions[588] = Vec3(0.859000,-0.906000,0.861000);
positions[589] = Vec3(0.913000,-0.975000,0.909000);
positions[590] = Vec3(0.827000,-0.837000,0.927000);
positions[591] = Vec3(-0.779000,-0.878000,0.087000);
positions[592] = Vec3(-0.802000,-0.825000,0.005000);
positions[593] = Vec3(-0.698000,-0.934000,0.068000);
positions[594] = Vec3(-0.001000,-0.293000,0.851000);
positions[595] = Vec3(-0.072000,-0.305000,0.781000);
positions[596] = Vec3(0.000000,-0.372000,0.911000);
positions[597] = Vec3(0.221000,-0.548000,-0.018000);
positions[598] = Vec3(0.156000,-0.621000,-0.039000);
positions[599] = Vec3(0.225000,-0.534000,0.080000);
positions[600] = Vec3(0.079000,-0.622000,0.653000);
positions[601] = Vec3(0.078000,-0.669000,0.741000);
positions[602] = Vec3(0.161000,-0.650000,0.602000);
positions[603] = Vec3(0.672000,-0.471000,-0.238000);
positions[604] = Vec3(0.594000,-0.521000,-0.200000);
positions[605] = Vec3(0.669000,-0.376000,-0.207000);
positions[606] = Vec3(-0.038000,0.192000,-0.635000);
positions[607] = Vec3(-0.042000,0.102000,-0.591000);
positions[608] = Vec3(-0.035000,0.181000,-0.734000);
positions[609] = Vec3(0.428000,0.424000,0.520000);
positions[610] = Vec3(0.458000,0.352000,0.458000);
positions[611] = Vec3(0.389000,0.384000,0.603000);
positions[612] = Vec3(-0.157000,-0.375000,-0.758000);
positions[613] = Vec3(-0.250000,-0.400000,-0.785000);
positions[614] = Vec3(-0.131000,-0.425000,-0.676000);
positions[615] = Vec3(0.317000,0.547000,-0.582000);
positions[616] = Vec3(0.355000,0.488000,-0.510000);
positions[617] = Vec3(0.357000,0.521000,-0.670000);
positions[618] = Vec3(0.812000,-0.276000,0.687000);
positions[619] = Vec3(0.844000,-0.266000,0.593000);
positions[620] = Vec3(0.733000,-0.338000,0.689000);
positions[621] = Vec3(-0.438000,0.214000,-0.750000);
positions[622] = Vec3(-0.386000,0.149000,-0.695000);
positions[623] = Vec3(-0.487000,0.277000,-0.689000);
positions[624] = Vec3(-0.861000,0.034000,-0.708000);
positions[625] = Vec3(-0.924000,-0.038000,-0.739000);
positions[626] = Vec3(-0.768000,-0.002000,-0.708000);
positions[627] = Vec3(0.770000,-0.532000,0.301000);
positions[628] = Vec3(0.724000,-0.619000,0.318000);
positions[629] = Vec3(0.861000,-0.535000,0.342000);
positions[630] = Vec3(0.618000,-0.295000,-0.578000);
positions[631] = Vec3(0.613000,-0.213000,-0.521000);
positions[632] = Vec3(0.707000,-0.298000,-0.623000);
positions[633] = Vec3(-0.510000,0.052000,0.168000);
positions[634] = Vec3(-0.475000,0.011000,0.084000);
positions[635] = Vec3(-0.600000,0.014000,0.188000);
positions[636] = Vec3(-0.562000,0.453000,0.691000);
positions[637] = Vec3(-0.621000,0.533000,0.695000);
positions[638] = Vec3(-0.547000,0.418000,0.784000);
positions[639] = Vec3(-0.269000,0.221000,0.882000);
positions[640] = Vec3(-0.353000,0.220000,0.936000);
positions[641] = Vec3(-0.267000,0.304000,0.826000);
positions[642] = Vec3(0.039000,-0.785000,0.300000);
positions[643] = Vec3(0.138000,-0.796000,0.291000);
positions[644] = Vec3(-0.001000,-0.871000,0.332000);
positions[645] = Vec3(0.875000,-0.216000,0.337000);
positions[646] = Vec3(0.798000,-0.251000,0.283000);
positions[647] = Vec3(0.843000,-0.145000,0.399000);
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