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Commit 68ef42c0 authored by Rossen Apostolov's avatar Rossen Apostolov
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New tests for Ewald and PME on both Reference and Cuda platforms.

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platforms/cuda/tests/TestCudaEwald.cpp 0 → 100644
View file @ 68ef42c0
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* 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. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests the Ewald summation method cuda implementation of NonbondedForce.
*/
#include "../../../tests/AssertionUtilities.h"
#include "openmm/Context.h"
#include "CudaPlatform.h"
#include "ReferencePlatform.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/LangevinIntegrator.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/internal/ContextImpl.h"
#include "kernels/gputypes.h"
#include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
#include "../src/sfmt/SFMT.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
const double TOL = 1e-5;
void testEwaldPME() {
// Use amorphous NaCl system for the tests
const int numParticles = 216;
const double cutoff = 0.8;
const double boxSize = 1.86206;
const double tol = 0.001;
CudaPlatform cuda;
ReferencePlatform reference;
System system;
VerletIntegrator integrator(0.01);
NonbondedForce* nonbonded = new NonbondedForce();
nonbonded->setNonbondedMethod(NonbondedForce::Ewald);
nonbonded->setCutoffDistance(cutoff);
nonbonded->setEwaldErrorTolerance(tol);
for (int i = 0; i < numParticles/2; i++)
system.addParticle(22.99);
for (int i = 0; i < numParticles/2; i++)
system.addParticle(35.45);
for (int i = 0; i < numParticles/2; i++)
nonbonded->addParticle(1.0, 1.0,0.0);
for (int i = 0; i < numParticles/2; i++)
nonbonded->addParticle(-1.0, 1.0,0.0);
system.setPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
system.addForce(nonbonded);
vector<Vec3> positions(numParticles);
#include "nacl_amorph.dat"
// (1) Check whether the Reference and Cuda platforms agree when using Ewald Method
Context cudaContext(system, integrator, cuda);
Context referenceContext(system, integrator, reference);
cudaContext.setPositions(positions);
referenceContext.setPositions(positions);
State cudaState = cudaContext.getState(State::Forces | State::Energy);
State referenceState = referenceContext.getState(State::Forces | State::Energy);
for (int i = 0; i < numParticles; i++) {
ASSERT_EQUAL_VEC(cudaState.getForces()[i], referenceState.getForces()[i], tol);
}
ASSERT_EQUAL_TOL(cudaState.getPotentialEnergy(), referenceState.getPotentialEnergy(), tol);
// (2) Check whether Ewald method in Cuda is self-consistent
double norm = 0.0;
for (int i = 0; i < numParticles; ++i) {
Vec3 f = cudaState.getForces()[i];
norm += f[0]*f[0] + f[1]*f[1] + f[2]*f[2];
}
norm = std::sqrt(norm);
const double delta = 1e-3;
double step = delta/norm;
for (int i = 0; i < numParticles; ++i) {
Vec3 p = positions[i];
Vec3 f = cudaState.getForces()[i];
positions[i] = Vec3(p[0]-f[0]*step, p[1]-f[1]*step, p[2]-f[2]*step);
}
Context cudaContext2(system, integrator, cuda);
cudaContext2.setPositions(positions);
State cudaState2 = cudaContext2.getState(State::Energy);
ASSERT_EQUAL_TOL(norm, (cudaState2.getPotentialEnergy()-cudaState.getPotentialEnergy())/delta, tol)
// (3) Check whether the Reference and Cuda platforms agree when using PME
nonbonded->setNonbondedMethod(NonbondedForce::PME);
cudaContext.reinitialize();
referenceContext.reinitialize();
cudaContext.setPositions(positions);
referenceContext.setPositions(positions);
cudaState = cudaContext.getState(State::Forces | State::Energy);
referenceState = referenceContext.getState(State::Forces | State::Energy);
for (int i = 0; i < numParticles; i++) {
ASSERT_EQUAL_VEC(cudaState.getForces()[i], referenceState.getForces()[i], tol);
}
ASSERT_EQUAL_TOL(cudaState.getPotentialEnergy(), referenceState.getPotentialEnergy(), tol);
// (4) Check whether PME method in Cuda is self-consistent
norm = 0.0;
for (int i = 0; i < numParticles; ++i) {
Vec3 f = cudaState.getForces()[i];
norm += f[0]*f[0] + f[1]*f[1] + f[2]*f[2];
}
norm = std::sqrt(norm);
step = delta/norm;
for (int i = 0; i < numParticles; ++i) {
Vec3 p = positions[i];
Vec3 f = cudaState.getForces()[i];
positions[i] = Vec3(p[0]-f[0]*step, p[1]-f[1]*step, p[2]-f[2]*step);
}
Context cudaContext3(system, integrator, cuda);
cudaContext3.setPositions(positions);
State cudaState3 = cudaContext3.getState(State::Energy);
ASSERT_EQUAL_TOL(norm, (cudaState3.getPotentialEnergy()-cudaState.getPotentialEnergy())/delta, tol)
}
void testEwald2Ions() {
CudaPlatform platform;
System system;
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->setNonbondedMethod(NonbondedForce::Ewald);
const double cutoff = 2.0;
nonbonded->setCutoffDistance(cutoff);
nonbonded->setEwaldErrorTolerance(TOL);
system.setPeriodicBoxVectors(Vec3(6, 0, 0), Vec3(0, 6, 0), Vec3(0, 0, 6));
system.addForce(nonbonded);
Context context(system, integrator, platform);
vector<Vec3> positions(2);
positions[0] = Vec3(3.048000,2.764000,3.156000);
positions[1] = Vec3(2.809000,2.888000,2.571000);
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces = state.getForces();
ASSERT_EQUAL_VEC(Vec3(-123.711, 64.1877, -302.716), forces[0], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 123.711, -64.1877, 302.716), forces[1], 10*TOL);
ASSERT_EQUAL_TOL(-217.276, state.getPotentialEnergy(), 0.01/*10*TOL*/);
}
int main() {
try {
testEwaldPME();
// testEwald2Ions();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
}
platforms/cuda/tests/TestCudaNonbondedForce.cpp
View file @ 68ef42c0
...@@ -359,34 +359,6 @@ void testPeriodic() { ...@@ -359,34 +359,6 @@ void testPeriodic() {
ASSERT_EQUAL_TOL(2*138.935485*(1.0)*(1.0+krf*1.0-crf), state.getPotentialEnergy(), TOL); ASSERT_EQUAL_TOL(2*138.935485*(1.0)*(1.0+krf*1.0-crf), state.getPotentialEnergy(), TOL);
} }
void testEwald() {
CudaPlatform platform;
System system;
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->setNonbondedMethod(NonbondedForce::Ewald);
const double cutoff = 2.0;
nonbonded->setCutoffDistance(cutoff);
nonbonded->setEwaldErrorTolerance(TOL);
system.setPeriodicBoxVectors(Vec3(6, 0, 0), Vec3(0, 6, 0), Vec3(0, 0, 6));
system.addForce(nonbonded);
Context context(system, integrator, platform);
vector<Vec3> positions(2);
positions[0] = Vec3(3.048000,2.764000,3.156000);
positions[1] = Vec3(2.809000,2.888000,2.571000);
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces = state.getForces();
ASSERT_EQUAL_VEC(Vec3(-123.711, 64.1877, -302.716), forces[0], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 123.711, -64.1877, 302.716), forces[1], 10*TOL);
ASSERT_EQUAL_TOL(-217.276, state.getPotentialEnergy(), 0.01/*10*TOL*/);
}
void testLargeSystem() { void testLargeSystem() {
const int numMolecules = 600; const int numMolecules = 600;
...@@ -636,7 +608,6 @@ int main() { ...@@ -636,7 +608,6 @@ int main() {
testCutoff(); testCutoff();
testCutoff14(); testCutoff14();
testPeriodic(); testPeriodic();
testEwald();
testLargeSystem(); testLargeSystem();
testBlockInteractions(false); testBlockInteractions(false);
testBlockInteractions(true); testBlockInteractions(true);
......
platforms/cuda/tests/nacl_amorph.dat 0 → 100644
View file @ 68ef42c0
positions[0] = Vec3(0.230000,0.628000,0.113000);
positions[1] = Vec3(0.225000,0.275000,-0.866000);
positions[2] = Vec3(0.019000,0.368000,0.647000);
positions[3] = Vec3(0.569000,-0.587000,-0.697000);
positions[4] = Vec3(-0.307000,-0.351000,0.703000);
positions[5] = Vec3(-0.119000,0.618000,0.856000);
positions[6] = Vec3(-0.727000,0.703000,0.717000);
positions[7] = Vec3(-0.107000,0.607000,0.231000);
positions[8] = Vec3(0.768000,-0.718000,-0.839000);
positions[9] = Vec3(0.850000,0.798000,-0.039000);
positions[10] = Vec3(0.685000,-0.850000,0.665000);
positions[11] = Vec3(0.686000,-0.701000,-0.059000);
positions[12] = Vec3(0.335000,-0.427000,-0.801000);
positions[13] = Vec3(-0.402000,-0.357000,-0.523000);
positions[14] = Vec3(0.438000,0.392000,-0.363000);
positions[15] = Vec3(-0.259000,0.447000,0.737000);
positions[16] = Vec3(0.231000,-0.149000,0.483000);
positions[17] = Vec3(-0.735000,-0.521000,-0.172000);
positions[18] = Vec3(0.230000,-0.428000,0.538000);
positions[19] = Vec3(0.240000,-0.771000,0.886000);
positions[20] = Vec3(0.620000,-0.076000,-0.423000);
positions[21] = Vec3(0.606000,-0.898000,0.123000);
positions[22] = Vec3(-0.268000,0.114000,-0.382000);
positions[23] = Vec3(0.122000,0.643000,0.563000);
positions[24] = Vec3(-0.020000,-0.095000,0.359000);
positions[25] = Vec3(0.027000,-0.266000,0.117000);
positions[26] = Vec3(-0.173000,0.922000,0.612000);
positions[27] = Vec3(-0.221000,-0.754000,0.432000);
positions[28] = Vec3(0.113000,0.737000,-0.265000);
positions[29] = Vec3(0.613000,-0.497000,0.726000);
positions[30] = Vec3(-0.569000,-0.634000,-0.439000);
positions[31] = Vec3(0.809000,0.004000,0.502000);
positions[32] = Vec3(0.197000,-0.886000,-0.598000);
positions[33] = Vec3(-0.337000,-0.863000,0.190000);
positions[34] = Vec3(-0.675000,-0.070000,-0.246000);
positions[35] = Vec3(0.317000,0.251000,-0.061000);
positions[36] = Vec3(-0.396000,-0.445000,-0.909000);
positions[37] = Vec3(-0.195000,-0.148000,0.572000);
positions[38] = Vec3(0.598000,0.729000,0.270000);
positions[39] = Vec3(-0.581000,0.345000,-0.918000);
positions[40] = Vec3(-0.286000,-0.200000,0.307000);
positions[41] = Vec3(0.807000,0.605000,-0.397000);
positions[42] = Vec3(-0.468000,0.469000,-0.188000);
positions[43] = Vec3(-0.889000,0.890000,-0.290000);
positions[44] = Vec3(-0.871000,0.410000,-0.620000);
positions[45] = Vec3(-0.821000,0.701000,0.429000);
positions[46] = Vec3(0.076000,0.811000,0.789000);
positions[47] = Vec3(0.130000,-0.041000,-0.291000);
positions[48] = Vec3(0.865000,0.348000,0.195000);
positions[49] = Vec3(-0.143000,0.585000,-0.031000);
positions[50] = Vec3(-0.500000,-0.718000,0.545000);
positions[51] = Vec3(0.550000,0.196000,0.885000);
positions[52] = Vec3(-0.854000,-0.406000,0.477000);
positions[53] = Vec3(0.351000,-0.061000,0.853000);
positions[54] = Vec3(-0.067000,-0.796000,0.873000);
positions[55] = Vec3(-0.635000,-0.312000,-0.356000);
positions[56] = Vec3(0.321000,-0.919000,0.242000);
positions[57] = Vec3(-0.404000,0.735000,0.728000);
positions[58] = Vec3(0.461000,-0.596000,-0.135000);
positions[59] = Vec3(-0.751000,-0.086000,0.237000);
positions[60] = Vec3(0.202000,0.285000,-0.364000);
positions[61] = Vec3(-0.230000,-0.485000,0.081000);
positions[62] = Vec3(0.464000,-0.119000,0.323000);
positions[63] = Vec3(-0.462000,0.107000,0.426000);
positions[64] = Vec3(0.249000,-0.077000,-0.621000);
positions[65] = Vec3(-0.922000,-0.164000,0.904000);
positions[66] = Vec3(0.382000,0.700000,0.480000);
positions[67] = Vec3(-0.315000,0.222000,-0.133000);
positions[68] = Vec3(0.614000,0.122000,0.117000);
positions[69] = Vec3(0.781000,0.264000,-0.113000);
positions[70] = Vec3(0.888000,-0.348000,-0.667000);
positions[71] = Vec3(-0.511000,0.590000,-0.429000);
positions[72] = Vec3(0.803000,-0.460000,0.924000);
positions[73] = Vec3(0.922000,0.503000,0.899000);
positions[74] = Vec3(0.539000,0.064000,0.512000);
positions[75] = Vec3(-0.428000,-0.674000,0.041000);
positions[76] = Vec3(0.297000,0.035000,0.171000);
positions[77] = Vec3(-0.927000,0.236000,0.480000);
positions[78] = Vec3(-0.786000,0.683000,-0.398000);
positions[79] = Vec3(-0.635000,-0.292000,0.793000);
positions[80] = Vec3(0.459000,-0.710000,0.741000);
positions[81] = Vec3(-0.591000,-0.065000,0.591000);
positions[82] = Vec3(-0.830000,0.549000,0.016000);
positions[83] = Vec3(0.078000,0.556000,-0.476000);
positions[84] = Vec3(0.561000,0.222000,-0.715000);
positions[85] = Vec3(0.866000,0.454000,0.642000);
positions[86] = Vec3(-0.845000,0.039000,0.753000);
positions[87] = Vec3(-0.433000,-0.689000,0.867000);
positions[88] = Vec3(-0.396000,0.590000,-0.870000);
positions[89] = Vec3(-0.005000,0.833000,0.377000);
positions[90] = Vec3(0.488000,-0.477000,0.174000);
positions[91] = Vec3(-0.198000,-0.582000,0.657000);
positions[92] = Vec3(-0.472000,0.575000,0.078000);
positions[93] = Vec3(0.527000,0.256000,0.328000);
positions[94] = Vec3(-0.108000,-0.639000,-0.274000);
positions[95] = Vec3(-0.798000,-0.515000,-0.522000);
positions[96] = Vec3(-0.270000,-0.233000,-0.237000);
positions[97] = Vec3(-0.751000,-0.667000,-0.762000);
positions[98] = Vec3(-0.224000,-0.763000,-0.783000);
positions[99] = Vec3(0.915000,0.089000,-0.460000);
positions[100] = Vec3(-0.882000,-0.746000,-0.143000);
positions[101] = Vec3(0.705000,-0.812000,0.368000);
positions[102] = Vec3(0.410000,0.813000,-0.611000);
positions[103] = Vec3(-0.588000,0.386000,-0.600000);
positions[104] = Vec3(0.064000,-0.298000,-0.531000);
positions[105] = Vec3(0.367000,-0.762000,0.501000);
positions[106] = Vec3(0.566000,0.537000,0.865000);
positions[107] = Vec3(-0.610000,-0.514000,0.388000);
positions[108] = Vec3(-0.590000,-0.417000,-0.720000);
positions[109] = Vec3(-0.280000,0.639000,0.472000);
positions[110] = Vec3(0.354000,-0.352000,-0.533000);
positions[111] = Vec3(0.402000,0.751000,-0.264000);
positions[112] = Vec3(-0.275000,0.779000,-0.192000);
positions[113] = Vec3(-0.849000,0.105000,-0.092000);
positions[114] = Vec3(0.504000,0.050000,-0.122000);
positions[115] = Vec3(0.573000,0.870000,-0.833000);
positions[116] = Vec3(-0.502000,0.862000,-0.817000);
positions[117] = Vec3(-0.653000,0.525000,0.275000);
positions[118] = Vec3(0.307000,0.213000,-0.631000);
positions[119] = Vec3(0.037000,-0.552000,-0.580000);
positions[120] = Vec3(0.732000,0.634000,-0.798000);
positions[121] = Vec3(-0.134000,-0.927000,-0.008000);
positions[122] = Vec3(0.307000,0.063000,0.618000);
positions[123] = Vec3(-0.240000,0.367000,0.374000);
positions[124] = Vec3(-0.839000,0.766000,-0.896000);
positions[125] = Vec3(-0.882000,-0.289000,-0.162000);
positions[126] = Vec3(-0.003000,-0.344000,-0.257000);
positions[127] = Vec3(0.350000,0.898000,-0.058000);
positions[128] = Vec3(-0.322000,0.274000,0.125000);
positions[129] = Vec3(-0.559000,0.838000,0.042000);
positions[130] = Vec3(-0.794000,-0.529000,0.849000);
positions[131] = Vec3(0.319000,0.810000,-0.913000);
positions[132] = Vec3(0.339000,0.509000,-0.856000);
positions[133] = Vec3(0.511000,0.415000,-0.054000);
positions[134] = Vec3(-0.724000,0.380000,-0.184000);
positions[135] = Vec3(-0.702000,0.207000,-0.385000);
positions[136] = Vec3(0.008000,-0.536000,0.200000);
positions[137] = Vec3(0.088000,-0.061000,0.927000);
positions[138] = Vec3(0.504000,-0.294000,0.910000);
positions[139] = Vec3(-0.860000,0.796000,-0.624000);
positions[140] = Vec3(0.040000,0.544000,-0.748000);
positions[141] = Vec3(0.189000,0.520000,-0.140000);
positions[142] = Vec3(-0.493000,-0.912000,-0.202000);
positions[143] = Vec3(0.815000,0.572000,0.325000);
positions[144] = Vec3(-0.205000,0.604000,-0.656000);
positions[145] = Vec3(0.252000,-0.298000,-0.118000);
positions[146] = Vec3(0.671000,0.464000,-0.593000);
positions[147] = Vec3(0.930000,-0.184000,-0.397000);
positions[148] = Vec3(0.473000,0.500000,0.191000);
positions[149] = Vec3(0.159000,-0.725000,-0.396000);
positions[150] = Vec3(-0.515000,-0.803000,-0.628000);
positions[151] = Vec3(-0.560000,0.855000,0.309000);
positions[152] = Vec3(-0.103000,-0.115000,-0.708000);
positions[153] = Vec3(-0.610000,-0.131000,-0.734000);
positions[154] = Vec3(0.083000,-0.604000,-0.840000);
positions[155] = Vec3(0.688000,-0.200000,-0.146000);
positions[156] = Vec3(0.903000,0.086000,0.133000);
positions[157] = Vec3(-0.136000,0.135000,0.523000);
positions[158] = Vec3(-0.474000,-0.289000,0.477000);
positions[159] = Vec3(0.130000,-0.068000,-0.011000);
positions[160] = Vec3(-0.582000,0.927000,0.672000);
positions[161] = Vec3(0.830000,-0.589000,-0.440000);
positions[162] = Vec3(0.672000,-0.246000,0.154000);
positions[163] = Vec3(-0.212000,-0.142000,-0.468000);
positions[164] = Vec3(-0.021000,0.175000,-0.899000);
positions[165] = Vec3(0.263000,0.326000,0.720000);
positions[166] = Vec3(-0.668000,-0.250000,0.031000);
positions[167] = Vec3(0.822000,-0.860000,-0.490000);
positions[168] = Vec3(0.916000,0.910000,0.291000);
positions[169] = Vec3(-0.358000,-0.255000,0.044000);
positions[170] = Vec3(0.372000,-0.574000,-0.372000);
positions[171] = Vec3(-0.248000,-0.570000,-0.573000);
positions[172] = Vec3(-0.823000,-0.764000,0.696000);
positions[173] = Vec3(-0.848000,0.236000,-0.891000);
positions[174] = Vec3(0.590000,-0.375000,0.491000);
positions[175] = Vec3(-0.153000,0.385000,-0.481000);
positions[176] = Vec3(0.255000,-0.514000,0.290000);
positions[177] = Vec3(0.105000,-0.849000,-0.136000);
positions[178] = Vec3(0.672000,0.203000,-0.373000);
positions[179] = Vec3(0.075000,0.345000,0.033000);
positions[180] = Vec3(-0.422000,0.856000,-0.464000);
positions[181] = Vec3(0.072000,0.166000,0.318000);
positions[182] = Vec3(-0.679000,-0.527000,0.119000);
positions[183] = Vec3(0.613000,0.842000,-0.431000);
positions[184] = Vec3(-0.369000,-0.095000,-0.903000);
positions[185] = Vec3(0.716000,0.565000,-0.154000);
positions[186] = Vec3(-0.412000,-0.642000,-0.229000);
positions[187] = Vec3(0.390000,-0.121000,-0.302000);
positions[188] = Vec3(-0.188000,0.883000,-0.608000);
positions[189] = Vec3(-0.637000,0.325000,0.449000);
positions[190] = Vec3(0.594000,0.745000,0.652000);
positions[191] = Vec3(-0.085000,0.342000,-0.220000);
positions[192] = Vec3(-0.132000,-0.928000,-0.345000);
positions[193] = Vec3(0.859000,-0.488000,0.016000);
positions[194] = Vec3(0.661000,-0.072000,-0.909000);
positions[195] = Vec3(-0.454000,-0.011000,-0.142000);
positions[196] = Vec3(0.859000,-0.906000,0.861000);
positions[197] = Vec3(-0.779000,-0.878000,0.087000);
positions[198] = Vec3(-0.001000,-0.293000,0.851000);
positions[199] = Vec3(0.221000,-0.548000,-0.018000);
positions[200] = Vec3(0.079000,-0.622000,0.653000);
positions[201] = Vec3(0.672000,-0.471000,-0.238000);
positions[202] = Vec3(-0.038000,0.192000,-0.635000);
positions[203] = Vec3(0.428000,0.424000,0.520000);
positions[204] = Vec3(-0.157000,-0.375000,-0.758000);
positions[205] = Vec3(0.317000,0.547000,-0.582000);
positions[206] = Vec3(0.812000,-0.276000,0.687000);
positions[207] = Vec3(-0.438000,0.214000,-0.750000);
positions[208] = Vec3(-0.861000,0.034000,-0.708000);
positions[209] = Vec3(0.770000,-0.532000,0.301000);
positions[210] = Vec3(0.618000,-0.295000,-0.578000);
positions[211] = Vec3(-0.510000,0.052000,0.168000);
positions[212] = Vec3(-0.562000,0.453000,0.691000);
positions[213] = Vec3(-0.269000,0.221000,0.882000);
positions[214] = Vec3(0.039000,-0.785000,0.300000);
positions[215] = Vec3(0.875000,-0.216000,0.337000);
platforms/reference/tests/TestReferenceEwald.cpp
View file @ 68ef42c0
...@@ -49,42 +49,47 @@ using namespace std; ...@@ -49,42 +49,47 @@ using namespace std;
const double TOL = 1e-5; const double TOL = 1e-5;
void testLargeSystem() {
void testEwaldExact() {
// Use a NaCl crystal to compare the calculated and Madelung energies
const int numParticles = 1000;
const double cutoff = 1.0;
const double boxSize = 2.82;
ReferencePlatform platform; ReferencePlatform platform;
System system; System system;
for (int i = 0; i < 500; i++)
for (int i = 0; i < numParticles/2; i++)
system.addParticle(22.99); system.addParticle(22.99);
for (int i = 0; i < 500; i++) for (int i = 0; i < numParticles/2; i++)
system.addParticle(35.45); system.addParticle(35.45);
VerletIntegrator integrator(0.01); VerletIntegrator integrator(0.01);
NonbondedForce* nonbonded = new NonbondedForce(); NonbondedForce* nonbonded = new NonbondedForce();
for (int i = 0; i < 500; i++) for (int i = 0; i < numParticles/2; i++)
nonbonded->addParticle(1.0, 1.0,0.0); nonbonded->addParticle(1.0, 1.0,0.0);
// nonbonded->addParticle(1.0, 0.33284,0.0115897); for (int i = 0; i < numParticles/2; i++)
for (int i = 0; i < 500; i++)
nonbonded->addParticle(-1.0, 1.0,0.0); nonbonded->addParticle(-1.0, 1.0,0.0);
// nonbonded->addParticle(-1.0, 0.440104,0.4184); nonbonded->setNonbondedMethod(NonbondedForce::Ewald);
nonbonded->setNonbondedMethod(NonbondedForce::PME);
const double cutoff = 1.0;
nonbonded->setCutoffDistance(cutoff); nonbonded->setCutoffDistance(cutoff);
system.setPeriodicBoxVectors(Vec3(2.82, 0, 0), Vec3(0, 2.82, 0), Vec3(0, 0, 2.82)); system.setPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
nonbonded->setEwaldErrorTolerance(TOL); nonbonded->setEwaldErrorTolerance(TOL);
system.addForce(nonbonded); system.addForce(nonbonded);
Context context(system, integrator, platform); Context context(system, integrator, platform);
vector<Vec3> positions(1000); vector<Vec3> positions(numParticles);
#include "nacl_crystal.dat" #include "nacl_crystal.dat"
context.setPositions(positions); context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy); State state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces = state.getForces(); const vector<Vec3>& forces = state.getForces();
// cout << "force 0: " << forces[0] << endl;
// cout << "force 1: " << forces[1] << endl; // Compare against Gromacs result for now
cout << "PotentialEnergy: " << state.getPotentialEnergy() << endl; ASSERT_EQUAL_TOL(-430494.0, state.getPotentialEnergy(), 10*TOL);
ASSERT_EQUAL_TOL(-430355.0, state.getPotentialEnergy(), 100*TOL);
// ASSERT_EQUAL_VEC(Vec3(-123.711, 64.1877, -302.716), forces[0], 10*TOL);
// ASSERT_EQUAL_VEC(Vec3(123.711, -64.1877, 302.716), forces[1], 10*TOL);
} }
void testEwald() { void testEwald2Ions() {
ReferencePlatform platform; ReferencePlatform platform;
System system; System system;
system.addParticle(1.0); system.addParticle(1.0);
...@@ -93,9 +98,6 @@ void testEwald() { ...@@ -93,9 +98,6 @@ void testEwald() {
NonbondedForce* nonbonded = new NonbondedForce(); NonbondedForce* nonbonded = new NonbondedForce();
nonbonded->addParticle(1.0, 1, 0); nonbonded->addParticle(1.0, 1, 0);
nonbonded->addParticle(-1.0, 1, 0); nonbonded->addParticle(-1.0, 1, 0);
// Sodium Chloride
// nonbonded->addParticle(1.0, 0.33284,0.0115897);
// nonbonded->addParticle(-1.0, 0.440104,0.4184);
nonbonded->setNonbondedMethod(NonbondedForce::Ewald); nonbonded->setNonbondedMethod(NonbondedForce::Ewald);
const double cutoff = 2.0; const double cutoff = 2.0;
nonbonded->setCutoffDistance(cutoff); nonbonded->setCutoffDistance(cutoff);
...@@ -109,53 +111,184 @@ void testEwald() { ...@@ -109,53 +111,184 @@ void testEwald() {
context.setPositions(positions); context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy); State state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces = state.getForces(); const vector<Vec3>& forces = state.getForces();
// cout << "force 0: " << forces[0] << endl;
// cout << "force 1: " << forces[1] << endl;
// cout << "PotentialEnergy: " << state.getPotentialEnergy() << endl;
ASSERT_EQUAL_VEC(Vec3(-123.711, 64.1877, -302.716), forces[0], 10*TOL); ASSERT_EQUAL_VEC(Vec3(-123.711, 64.1877, -302.716), forces[0], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(123.711, -64.1877, 302.716), forces[1], 10*TOL); ASSERT_EQUAL_VEC(Vec3(123.711, -64.1877, 302.716), forces[1], 10*TOL);
ASSERT_EQUAL_TOL(-217.276, state.getPotentialEnergy(), 10*TOL);
} }
void testPME() { void testWaterSystem() {
ReferencePlatform platform; ReferencePlatform platform;
System system; System system;
for (int i = 0 ; i < 42 ; i++) static int numParticles;
numParticles = 648;
for (int i = 0 ; i < numParticles ; i++)
{ {
system.addParticle(1.0); system.addParticle(1.0);
} }
VerletIntegrator integrator(0.01); VerletIntegrator integrator(0.01);
NonbondedForce* nonbonded = new NonbondedForce(); NonbondedForce* nonbonded = new NonbondedForce();
for (int i = 0 ; i < 14 ; i++) for (int i = 0 ; i < numParticles/3 ; i++)
{ {
nonbonded->addParticle(-0.82, 1, 0); nonbonded->addParticle(-0.82, 1, 0);
nonbonded->addParticle(0.41, 1, 0); nonbonded->addParticle(0.41, 1, 0);
nonbonded->addParticle(0.41, 1, 0); nonbonded->addParticle(0.41, 1, 0);
} }
nonbonded->setNonbondedMethod(NonbondedForce::PME); nonbonded->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
const double cutoff = 0.8; const double cutoff = 0.8;
nonbonded->setCutoffDistance(cutoff); nonbonded->setCutoffDistance(cutoff);
system.setPeriodicBoxVectors(Vec3(1.86206, 0, 0), Vec3(0, 1.86206, 0), Vec3(0, 0, 1.86206)); system.setPeriodicBoxVectors(Vec3(1.86206, 0, 0), Vec3(0, 1.86206, 0), Vec3(0, 0, 1.86206));
nonbonded->setEwaldErrorTolerance(TOL); nonbonded->setEwaldErrorTolerance(TOL);
system.addForce(nonbonded); system.addForce(nonbonded);
Context context(system, integrator, platform); Context context(system, integrator, platform);
vector<Vec3> positions(42); vector<Vec3> positions(numParticles);
#include "water.dat" #include "water.dat"
context.setPositions(positions); context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy); State state1 = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces = state.getForces(); const vector<Vec3>& forces = state1.getForces();
// for (int i = 0 ; i < 42 ; i++) // for (int i = 0 ; i < 42 ; i++)
// cout << "f [" << i << " : ]" << forces[i] << endl; // cout << "f [" << i << " : ]" << forces[i] << endl;
// cout << "PotentialEnergy: " << state.getPotentialEnergy() << endl; // cout << "PotentialEnergy: " << state1.getPotentialEnergy() << endl;
// ASSERT_EQUAL_VEC(Vec3(-123.711, 64.1877, -302.716), forces[0], 10*TOL);
// ASSERT_EQUAL_VEC(Vec3(123.711, -64.1877, 302.716), forces[1], 10*TOL); // Take a small step in the direction of the energy gradient.
double norm = 0.0;
for (int i = 0; i < numParticles; ++i) {
Vec3 f = state1.getForces()[i];
norm += f[0]*f[0] + f[1]*f[1] + f[2]*f[2];
}
norm = std::sqrt(norm);
const double delta = 1e-3;
double step = delta/norm;
for (int i = 0; i < numParticles; ++i) {
Vec3 p = positions[i];
Vec3 f = state1.getForces()[i];
positions[i] = Vec3(p[0]-f[0]*step, p[1]-f[1]*step, p[2]-f[2]*step);
}
context.setPositions(positions);
// See whether the potential energy changed by the expected amount.
nonbonded->setNonbondedMethod(NonbondedForce::Ewald);
State state2 = context.getState(State::Energy);
ASSERT_EQUAL_TOL(norm, (state2.getPotentialEnergy()-state1.getPotentialEnergy())/delta, 0.01)
} }
void testEwaldPME() {
// Use amorphoush NaCl system
ReferencePlatform platform;
const int numParticles = 216;
System system;
for (int i = 0; i < numParticles/2; i++)
system.addParticle(22.99);
for (int i = 0; i < numParticles/2; i++)
system.addParticle(35.45);
VerletIntegrator integrator(0.01);
NonbondedForce* nonbonded = new NonbondedForce();
for (int i = 0; i < numParticles/2; i++)
nonbonded->addParticle(1.0, 1.0,0.0);
for (int i = 0; i < numParticles/2; i++)
nonbonded->addParticle(-1.0, 1.0,0.0);
nonbonded->setNonbondedMethod(NonbondedForce::Ewald);
const double cutoff = 0.8;
nonbonded->setCutoffDistance(cutoff);
system.setPeriodicBoxVectors(Vec3(1.86206, 0, 0), Vec3(0, 1.86206, 0), Vec3(0, 0, 1.86206));
nonbonded->setEwaldErrorTolerance(TOL);
system.addForce(nonbonded);
Context context(system, integrator, platform);
vector<Vec3> positions(numParticles);
#include "nacl_amorph.dat"
context.setPositions(positions);
State state1 = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces1 = state1.getForces();
// (1) CHECK EXACT VALUE OF EWALD ENERGY
ASSERT_EQUAL_TOL(-26651.9, state1.getPotentialEnergy(), TOL);
// (2) CHECK WHETHER THE EWALD FORCES ARE THE SAME AS THE GROMACS OUTPUT
// Even at tolerance 0.1 the test doesn't pass
// #include "nacl_amorph_GromacsForcesEwald.dat"
// (3) CHECK SELF-CONSISTENCY
// Take a small step in the direction of the energy gradient.
double norm = 0.0;
for (int i = 0; i < numParticles; ++i) {
Vec3 f = state1.getForces()[i];
norm += f[0]*f[0] + f[1]*f[1] + f[2]*f[2];
}
norm = std::sqrt(norm);
const double delta = 1e-3;
double step = delta/norm;
for (int i = 0; i < numParticles; ++i) {
Vec3 p = positions[i];
Vec3 f = state1.getForces()[i];
positions[i] = Vec3(p[0]-f[0]*step, p[1]-f[1]*step, p[2]-f[2]*step);
}
context.setPositions(positions);
// See whether the potential energy changed by the expected amount.
State state2 = context.getState(State::Energy);
ASSERT_EQUAL_TOL(norm, (state2.getPotentialEnergy()-state1.getPotentialEnergy())/delta, 0.01)
// (4) CHECK EXACT VALUE OF PME ENERGY
nonbonded->setNonbondedMethod(NonbondedForce::PME);
context.reinitialize();
#include "nacl_amorph.dat"
context.setPositions(positions);
State state3 = context.getState(State::Forces | State::Energy);
ASSERT_EQUAL_TOL(-26651.9, state3.getPotentialEnergy(), 10*TOL);
// (5) CHECK WHETHER PME FORCES ARE THE SAME AS THE GROMACS OUTPUT
// Even at tolerance 0.1 the test doesn't pass
// #include "nacl_amorph_GromacsForcesEwald.dat"
// (6) CHECK PME FOR SELF-CONSISTENCY
// Take a small step in the direction of the energy gradient.
norm = 0.0;
for (int i = 0; i < numParticles; ++i) {
Vec3 f = state3.getForces()[i];
norm += f[0]*f[0] + f[1]*f[1] + f[2]*f[2];
}
norm = std::sqrt(norm);
step = delta/norm;
for (int i = 0; i < numParticles; ++i) {
Vec3 p = positions[i];
Vec3 f = state3.getForces()[i];
positions[i] = Vec3(p[0]-f[0]*step, p[1]-f[1]*step, p[2]-f[2]*step);
}
context.setPositions(positions);
// See whether the potential energy changed by the expected amount.
State state4 = context.getState(State::Energy);
ASSERT_EQUAL_TOL(norm, (state4.getPotentialEnergy()-state3.getPotentialEnergy())/delta, 0.01)
}
int main() { int main() {
try { try {
testLargeSystem(); testEwaldExact();
testEwald(); // testEwald2Ions();
testPME(); // testWaterSystem();
testEwaldPME();
} }
catch(const exception& e) { catch(const exception& e) {
cout << "exception: " << e.what() << endl; cout << "exception: " << e.what() << endl;
......
platforms/reference/tests/TestReferenceNonbondedForce.cpp
View file @ 68ef42c0
...@@ -355,34 +355,6 @@ void testPeriodic() { ...@@ -355,34 +355,6 @@ void testPeriodic() {
ASSERT_EQUAL_TOL(2*138.935485*(1.0)*(1.0+krf*1.0-crf), state.getPotentialEnergy(), TOL); ASSERT_EQUAL_TOL(2*138.935485*(1.0)*(1.0+krf*1.0-crf), state.getPotentialEnergy(), TOL);
} }
void testEwald() {
ReferencePlatform platform;
System system;
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->setNonbondedMethod(NonbondedForce::Ewald);
const double cutoff = 2.0;
nonbonded->setCutoffDistance(cutoff);
nonbonded->setEwaldErrorTolerance(TOL);
system.setPeriodicBoxVectors(Vec3(6, 0, 0), Vec3(0, 6, 0), Vec3(0, 0, 6));
system.addForce(nonbonded);
Context context(system, integrator, platform);
vector<Vec3> positions(2);
positions[0] = Vec3(3.048000,2.764000,3.156000);
positions[1] = Vec3(2.809000,2.888000,2.571000);
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
const vector<Vec3>& forces = state.getForces();
ASSERT_EQUAL_VEC(Vec3(-123.711, 64.1877, -302.716), forces[0], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 123.711, -64.1877, 302.716), forces[1], 10*TOL);
ASSERT_EQUAL_TOL(-217.276, state.getPotentialEnergy(), 0.01/*10*TOL*/);
}
int main() { int main() {
try { try {
testCoulomb(); testCoulomb();
...@@ -391,7 +363,6 @@ int main() { ...@@ -391,7 +363,6 @@ int main() {
testCutoff(); testCutoff();
testCutoff14(); testCutoff14();
testPeriodic(); testPeriodic();
testEwald();
} }
catch(const exception& e) { catch(const exception& e) {
cout << "exception: " << e.what() << endl; cout << "exception: " << e.what() << endl;
......
platforms/reference/tests/nacl_amorph.dat 0 → 100644
View file @ 68ef42c0
positions[0] = Vec3(0.230000,0.628000,0.113000);
positions[1] = Vec3(0.225000,0.275000,-0.866000);
positions[2] = Vec3(0.019000,0.368000,0.647000);
positions[3] = Vec3(0.569000,-0.587000,-0.697000);
positions[4] = Vec3(-0.307000,-0.351000,0.703000);
positions[5] = Vec3(-0.119000,0.618000,0.856000);
positions[6] = Vec3(-0.727000,0.703000,0.717000);
positions[7] = Vec3(-0.107000,0.607000,0.231000);
positions[8] = Vec3(0.768000,-0.718000,-0.839000);
positions[9] = Vec3(0.850000,0.798000,-0.039000);
positions[10] = Vec3(0.685000,-0.850000,0.665000);
positions[11] = Vec3(0.686000,-0.701000,-0.059000);
positions[12] = Vec3(0.335000,-0.427000,-0.801000);
positions[13] = Vec3(-0.402000,-0.357000,-0.523000);
positions[14] = Vec3(0.438000,0.392000,-0.363000);
positions[15] = Vec3(-0.259000,0.447000,0.737000);
positions[16] = Vec3(0.231000,-0.149000,0.483000);
positions[17] = Vec3(-0.735000,-0.521000,-0.172000);
positions[18] = Vec3(0.230000,-0.428000,0.538000);
positions[19] = Vec3(0.240000,-0.771000,0.886000);
positions[20] = Vec3(0.620000,-0.076000,-0.423000);
positions[21] = Vec3(0.606000,-0.898000,0.123000);
positions[22] = Vec3(-0.268000,0.114000,-0.382000);
positions[23] = Vec3(0.122000,0.643000,0.563000);
positions[24] = Vec3(-0.020000,-0.095000,0.359000);
positions[25] = Vec3(0.027000,-0.266000,0.117000);
positions[26] = Vec3(-0.173000,0.922000,0.612000);
positions[27] = Vec3(-0.221000,-0.754000,0.432000);
positions[28] = Vec3(0.113000,0.737000,-0.265000);
positions[29] = Vec3(0.613000,-0.497000,0.726000);
positions[30] = Vec3(-0.569000,-0.634000,-0.439000);
positions[31] = Vec3(0.809000,0.004000,0.502000);
positions[32] = Vec3(0.197000,-0.886000,-0.598000);
positions[33] = Vec3(-0.337000,-0.863000,0.190000);
positions[34] = Vec3(-0.675000,-0.070000,-0.246000);
positions[35] = Vec3(0.317000,0.251000,-0.061000);
positions[36] = Vec3(-0.396000,-0.445000,-0.909000);
positions[37] = Vec3(-0.195000,-0.148000,0.572000);
positions[38] = Vec3(0.598000,0.729000,0.270000);
positions[39] = Vec3(-0.581000,0.345000,-0.918000);
positions[40] = Vec3(-0.286000,-0.200000,0.307000);
positions[41] = Vec3(0.807000,0.605000,-0.397000);
positions[42] = Vec3(-0.468000,0.469000,-0.188000);
positions[43] = Vec3(-0.889000,0.890000,-0.290000);
positions[44] = Vec3(-0.871000,0.410000,-0.620000);
positions[45] = Vec3(-0.821000,0.701000,0.429000);
positions[46] = Vec3(0.076000,0.811000,0.789000);
positions[47] = Vec3(0.130000,-0.041000,-0.291000);
positions[48] = Vec3(0.865000,0.348000,0.195000);
positions[49] = Vec3(-0.143000,0.585000,-0.031000);
positions[50] = Vec3(-0.500000,-0.718000,0.545000);
positions[51] = Vec3(0.550000,0.196000,0.885000);
positions[52] = Vec3(-0.854000,-0.406000,0.477000);
positions[53] = Vec3(0.351000,-0.061000,0.853000);
positions[54] = Vec3(-0.067000,-0.796000,0.873000);
positions[55] = Vec3(-0.635000,-0.312000,-0.356000);
positions[56] = Vec3(0.321000,-0.919000,0.242000);
positions[57] = Vec3(-0.404000,0.735000,0.728000);
positions[58] = Vec3(0.461000,-0.596000,-0.135000);
positions[59] = Vec3(-0.751000,-0.086000,0.237000);
positions[60] = Vec3(0.202000,0.285000,-0.364000);
positions[61] = Vec3(-0.230000,-0.485000,0.081000);
positions[62] = Vec3(0.464000,-0.119000,0.323000);
positions[63] = Vec3(-0.462000,0.107000,0.426000);
positions[64] = Vec3(0.249000,-0.077000,-0.621000);
positions[65] = Vec3(-0.922000,-0.164000,0.904000);
positions[66] = Vec3(0.382000,0.700000,0.480000);
positions[67] = Vec3(-0.315000,0.222000,-0.133000);
positions[68] = Vec3(0.614000,0.122000,0.117000);
positions[69] = Vec3(0.781000,0.264000,-0.113000);
positions[70] = Vec3(0.888000,-0.348000,-0.667000);
positions[71] = Vec3(-0.511000,0.590000,-0.429000);
positions[72] = Vec3(0.803000,-0.460000,0.924000);
positions[73] = Vec3(0.922000,0.503000,0.899000);
positions[74] = Vec3(0.539000,0.064000,0.512000);
positions[75] = Vec3(-0.428000,-0.674000,0.041000);
positions[76] = Vec3(0.297000,0.035000,0.171000);
positions[77] = Vec3(-0.927000,0.236000,0.480000);
positions[78] = Vec3(-0.786000,0.683000,-0.398000);
positions[79] = Vec3(-0.635000,-0.292000,0.793000);
positions[80] = Vec3(0.459000,-0.710000,0.741000);
positions[81] = Vec3(-0.591000,-0.065000,0.591000);
positions[82] = Vec3(-0.830000,0.549000,0.016000);
positions[83] = Vec3(0.078000,0.556000,-0.476000);
positions[84] = Vec3(0.561000,0.222000,-0.715000);
positions[85] = Vec3(0.866000,0.454000,0.642000);
positions[86] = Vec3(-0.845000,0.039000,0.753000);
positions[87] = Vec3(-0.433000,-0.689000,0.867000);
positions[88] = Vec3(-0.396000,0.590000,-0.870000);
positions[89] = Vec3(-0.005000,0.833000,0.377000);
positions[90] = Vec3(0.488000,-0.477000,0.174000);
positions[91] = Vec3(-0.198000,-0.582000,0.657000);
positions[92] = Vec3(-0.472000,0.575000,0.078000);
positions[93] = Vec3(0.527000,0.256000,0.328000);
positions[94] = Vec3(-0.108000,-0.639000,-0.274000);
positions[95] = Vec3(-0.798000,-0.515000,-0.522000);
positions[96] = Vec3(-0.270000,-0.233000,-0.237000);
positions[97] = Vec3(-0.751000,-0.667000,-0.762000);
positions[98] = Vec3(-0.224000,-0.763000,-0.783000);
positions[99] = Vec3(0.915000,0.089000,-0.460000);
positions[100] = Vec3(-0.882000,-0.746000,-0.143000);
positions[101] = Vec3(0.705000,-0.812000,0.368000);
positions[102] = Vec3(0.410000,0.813000,-0.611000);
positions[103] = Vec3(-0.588000,0.386000,-0.600000);
positions[104] = Vec3(0.064000,-0.298000,-0.531000);
positions[105] = Vec3(0.367000,-0.762000,0.501000);
positions[106] = Vec3(0.566000,0.537000,0.865000);
positions[107] = Vec3(-0.610000,-0.514000,0.388000);
positions[108] = Vec3(-0.590000,-0.417000,-0.720000);
positions[109] = Vec3(-0.280000,0.639000,0.472000);
positions[110] = Vec3(0.354000,-0.352000,-0.533000);
positions[111] = Vec3(0.402000,0.751000,-0.264000);
positions[112] = Vec3(-0.275000,0.779000,-0.192000);
positions[113] = Vec3(-0.849000,0.105000,-0.092000);
positions[114] = Vec3(0.504000,0.050000,-0.122000);
positions[115] = Vec3(0.573000,0.870000,-0.833000);
positions[116] = Vec3(-0.502000,0.862000,-0.817000);
positions[117] = Vec3(-0.653000,0.525000,0.275000);
positions[118] = Vec3(0.307000,0.213000,-0.631000);
positions[119] = Vec3(0.037000,-0.552000,-0.580000);
positions[120] = Vec3(0.732000,0.634000,-0.798000);
positions[121] = Vec3(-0.134000,-0.927000,-0.008000);
positions[122] = Vec3(0.307000,0.063000,0.618000);
positions[123] = Vec3(-0.240000,0.367000,0.374000);
positions[124] = Vec3(-0.839000,0.766000,-0.896000);
positions[125] = Vec3(-0.882000,-0.289000,-0.162000);
positions[126] = Vec3(-0.003000,-0.344000,-0.257000);
positions[127] = Vec3(0.350000,0.898000,-0.058000);
positions[128] = Vec3(-0.322000,0.274000,0.125000);
positions[129] = Vec3(-0.559000,0.838000,0.042000);
positions[130] = Vec3(-0.794000,-0.529000,0.849000);
positions[131] = Vec3(0.319000,0.810000,-0.913000);
positions[132] = Vec3(0.339000,0.509000,-0.856000);
positions[133] = Vec3(0.511000,0.415000,-0.054000);
positions[134] = Vec3(-0.724000,0.380000,-0.184000);
positions[135] = Vec3(-0.702000,0.207000,-0.385000);
positions[136] = Vec3(0.008000,-0.536000,0.200000);
positions[137] = Vec3(0.088000,-0.061000,0.927000);
positions[138] = Vec3(0.504000,-0.294000,0.910000);
positions[139] = Vec3(-0.860000,0.796000,-0.624000);
positions[140] = Vec3(0.040000,0.544000,-0.748000);
positions[141] = Vec3(0.189000,0.520000,-0.140000);
positions[142] = Vec3(-0.493000,-0.912000,-0.202000);
positions[143] = Vec3(0.815000,0.572000,0.325000);
positions[144] = Vec3(-0.205000,0.604000,-0.656000);
positions[145] = Vec3(0.252000,-0.298000,-0.118000);
positions[146] = Vec3(0.671000,0.464000,-0.593000);
positions[147] = Vec3(0.930000,-0.184000,-0.397000);
positions[148] = Vec3(0.473000,0.500000,0.191000);
positions[149] = Vec3(0.159000,-0.725000,-0.396000);
positions[150] = Vec3(-0.515000,-0.803000,-0.628000);
positions[151] = Vec3(-0.560000,0.855000,0.309000);
positions[152] = Vec3(-0.103000,-0.115000,-0.708000);
positions[153] = Vec3(-0.610000,-0.131000,-0.734000);
positions[154] = Vec3(0.083000,-0.604000,-0.840000);
positions[155] = Vec3(0.688000,-0.200000,-0.146000);
positions[156] = Vec3(0.903000,0.086000,0.133000);
positions[157] = Vec3(-0.136000,0.135000,0.523000);
positions[158] = Vec3(-0.474000,-0.289000,0.477000);
positions[159] = Vec3(0.130000,-0.068000,-0.011000);
positions[160] = Vec3(-0.582000,0.927000,0.672000);
positions[161] = Vec3(0.830000,-0.589000,-0.440000);
positions[162] = Vec3(0.672000,-0.246000,0.154000);
positions[163] = Vec3(-0.212000,-0.142000,-0.468000);
positions[164] = Vec3(-0.021000,0.175000,-0.899000);
positions[165] = Vec3(0.263000,0.326000,0.720000);
positions[166] = Vec3(-0.668000,-0.250000,0.031000);
positions[167] = Vec3(0.822000,-0.860000,-0.490000);
positions[168] = Vec3(0.916000,0.910000,0.291000);
positions[169] = Vec3(-0.358000,-0.255000,0.044000);
positions[170] = Vec3(0.372000,-0.574000,-0.372000);
positions[171] = Vec3(-0.248000,-0.570000,-0.573000);
positions[172] = Vec3(-0.823000,-0.764000,0.696000);
positions[173] = Vec3(-0.848000,0.236000,-0.891000);
positions[174] = Vec3(0.590000,-0.375000,0.491000);
positions[175] = Vec3(-0.153000,0.385000,-0.481000);
positions[176] = Vec3(0.255000,-0.514000,0.290000);
positions[177] = Vec3(0.105000,-0.849000,-0.136000);
positions[178] = Vec3(0.672000,0.203000,-0.373000);
positions[179] = Vec3(0.075000,0.345000,0.033000);
positions[180] = Vec3(-0.422000,0.856000,-0.464000);
positions[181] = Vec3(0.072000,0.166000,0.318000);
positions[182] = Vec3(-0.679000,-0.527000,0.119000);
positions[183] = Vec3(0.613000,0.842000,-0.431000);
positions[184] = Vec3(-0.369000,-0.095000,-0.903000);
positions[185] = Vec3(0.716000,0.565000,-0.154000);
positions[186] = Vec3(-0.412000,-0.642000,-0.229000);
positions[187] = Vec3(0.390000,-0.121000,-0.302000);
positions[188] = Vec3(-0.188000,0.883000,-0.608000);
positions[189] = Vec3(-0.637000,0.325000,0.449000);
positions[190] = Vec3(0.594000,0.745000,0.652000);
positions[191] = Vec3(-0.085000,0.342000,-0.220000);
positions[192] = Vec3(-0.132000,-0.928000,-0.345000);
positions[193] = Vec3(0.859000,-0.488000,0.016000);
positions[194] = Vec3(0.661000,-0.072000,-0.909000);
positions[195] = Vec3(-0.454000,-0.011000,-0.142000);
positions[196] = Vec3(0.859000,-0.906000,0.861000);
positions[197] = Vec3(-0.779000,-0.878000,0.087000);
positions[198] = Vec3(-0.001000,-0.293000,0.851000);
positions[199] = Vec3(0.221000,-0.548000,-0.018000);
positions[200] = Vec3(0.079000,-0.622000,0.653000);
positions[201] = Vec3(0.672000,-0.471000,-0.238000);
positions[202] = Vec3(-0.038000,0.192000,-0.635000);
positions[203] = Vec3(0.428000,0.424000,0.520000);
positions[204] = Vec3(-0.157000,-0.375000,-0.758000);
positions[205] = Vec3(0.317000,0.547000,-0.582000);
positions[206] = Vec3(0.812000,-0.276000,0.687000);
positions[207] = Vec3(-0.438000,0.214000,-0.750000);
positions[208] = Vec3(-0.861000,0.034000,-0.708000);
positions[209] = Vec3(0.770000,-0.532000,0.301000);
positions[210] = Vec3(0.618000,-0.295000,-0.578000);
positions[211] = Vec3(-0.510000,0.052000,0.168000);
positions[212] = Vec3(-0.562000,0.453000,0.691000);
positions[213] = Vec3(-0.269000,0.221000,0.882000);
positions[214] = Vec3(0.039000,-0.785000,0.300000);
positions[215] = Vec3(0.875000,-0.216000,0.337000);
platforms/reference/tests/nacl_amorph_GromacsForcesEwald.dat 0 → 100644
View file @ 68ef42c0
ASSERT_EQUAL_VEC(Vec3( 8.20831e+02, -2.39265e+03, -6.09672e+03), forces1[0], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.66890e+03, 6.12680e+02, 3.26391e+03), forces1[1], TOL);
ASSERT_EQUAL_VEC(Vec3( 8.42139e+02, -5.74020e+03, 9.84681e+02), forces1[2], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.69160e+03, 1.01636e+03, 6.75540e+03), forces1[3], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.04482e+03, 3.89997e+03, 2.79360e+03), forces1[4], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.26801e+03, -3.29937e+03, 6.58525e+03), forces1[5], TOL);
ASSERT_EQUAL_VEC(Vec3( 3.93732e+02, 2.25275e+03, 1.91836e+03), forces1[6], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.61305e+03, -3.55422e+03, -1.60219e+03), forces1[7], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.67011e+03, -5.46823e+03, 2.25854e+03), forces1[8], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.62573e+02, -6.23724e+02, -5.13133e+02), forces1[9], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.46776e+03, -3.41003e+03, 2.99350e+03), forces1[10], TOL);
ASSERT_EQUAL_VEC(Vec3( 7.19389e+02, 4.84737e+03, -3.44817e+03), forces1[11], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.37720e+03, 2.57617e+03, 4.45894e+03), forces1[12], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.38896e+03, 6.92339e+02, -2.28233e+03), forces1[13], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.34724e+03, 1.55928e+03, -8.39021e+02), forces1[14], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.87328e+03, -6.05077e+03, -5.52405e+01), forces1[15], TOL);
ASSERT_EQUAL_VEC(Vec3(-4.59340e+02, 2.11984e+03, 1.90096e+03), forces1[16], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.68172e+03, 3.02879e+03, 3.29144e+03), forces1[17], TOL);
ASSERT_EQUAL_VEC(Vec3(-7.66130e+02, -8.30274e+02, -1.03855e+03), forces1[18], TOL);
ASSERT_EQUAL_VEC(Vec3(-9.02251e+02, 7.56454e+02, 5.31355e+03), forces1[19], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.34128e+03, -2.94917e+03, 3.50106e+03), forces1[20], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.77098e+02, 5.38413e+02, -4.41910e+03), forces1[21], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.89246e+03, -5.97683e+02, -3.30100e+03), forces1[22], TOL);
ASSERT_EQUAL_VEC(Vec3( 9.40266e+02, -4.34341e+03, 4.12621e+02), forces1[23], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.27412e+02, 4.81821e+03, -1.68854e+03), forces1[24], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.63257e+03, -1.35266e+03, -6.23284e+03), forces1[25], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.65374e+03, -1.71701e+03, -4.12940e+02), forces1[26], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.63783e+03, 7.89849e+02, -4.70729e+03), forces1[27], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.95083e+02, 2.48159e+03, 3.71529e+02), forces1[28], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.11286e+03, 4.76531e+03, -1.48722e+03), forces1[29], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.90111e+03, -4.15823e+03, 4.91827e+02), forces1[30], TOL);
ASSERT_EQUAL_VEC(Vec3( 5.31981e+02, -4.61129e+03, -2.26205e+03), forces1[31], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.03402e+03, 2.12277e+03, 4.91126e+03), forces1[32], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.44507e+03, -3.49316e+03, -5.49954e+03), forces1[33], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.39561e+03, 2.02390e+03, 2.72189e+03), forces1[34], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.97484e+02, 1.13306e+03, -1.93722e+03), forces1[35], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.45524e+03, 3.98770e+03, 7.60267e+03), forces1[36], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.18423e+03, 4.30156e+03, 3.13845e+03), forces1[37], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.04712e+03, -4.29254e+03, -1.92390e+03), forces1[38], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.99421e+03, -3.21174e+03, 1.17411e+03), forces1[39], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.00560e+03, 1.25694e+03, -4.55931e+03), forces1[40], TOL);
ASSERT_EQUAL_VEC(Vec3(-4.89329e+03, -1.51189e+01, -1.18920e+03), forces1[41], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.03033e+02, -6.94191e+02, -4.34602e+02), forces1[42], TOL);
ASSERT_EQUAL_VEC(Vec3(-6.55058e+02, 1.86989e+03, -3.20756e+03), forces1[43], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.99529e+03, -8.56961e+02, 2.77210e+02), forces1[44], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.55907e+03, 9.98209e+02, -3.44569e+03), forces1[45], TOL);
ASSERT_EQUAL_VEC(Vec3( 3.15199e+03, -1.77071e+03, 5.33110e+03), forces1[46], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.26890e+03, -2.94837e+03, 8.33300e+02), forces1[47], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.51787e+03, -7.54147e+01, -2.54823e+03), forces1[48], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.76665e+02, 5.52051e+01, -4.82452e+03), forces1[49], TOL);
ASSERT_EQUAL_VEC(Vec3(-4.83919e+03, -3.19345e+03, -1.38614e+02), forces1[50], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.64733e+03, -4.85988e+02, 1.58748e+03), forces1[51], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.83833e+03, 4.19049e+02, -3.08232e+03), forces1[52], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.98287e+03, -3.79608e+02, 2.27447e+03), forces1[53], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.78494e+03, 2.53005e+03, 5.27322e+03), forces1[54], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.31841e+03, 2.35268e+03, 1.34939e+03), forces1[55], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.74641e+03, 2.10630e+03, -6.12271e+03), forces1[56], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.88262e+03, -6.78448e+02, -5.86008e+02), forces1[57], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.78310e+03, 3.67569e+03, -5.48426e+03), forces1[58], TOL);
ASSERT_EQUAL_VEC(Vec3(-5.77653e+02, -7.87374e+02, -6.40935e+03), forces1[59], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.37566e+03, 5.52391e+01, -1.70338e+03), forces1[60], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.99837e+03, 1.04005e+03, -3.77353e+03), forces1[61], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.43485e+03, -3.94193e+03, -3.55960e+03), forces1[62], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.55209e+03, 4.32310e+03, -3.81592e+03), forces1[63], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.46103e+03, -2.98437e+01, 1.00764e+03), forces1[64], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.53255e+03, 5.72328e+02, 3.29519e+03), forces1[65], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.82686e+03, -3.71524e+03, 1.39122e+03), forces1[66], TOL);
ASSERT_EQUAL_VEC(Vec3( 9.04332e+02, -1.44800e+03, 1.57545e+03), forces1[67], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.65856e+03, -2.91481e+03, -6.58907e+03), forces1[68], TOL);
ASSERT_EQUAL_VEC(Vec3( 7.91644e+01, -2.15682e+03, -3.07897e+03), forces1[69], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.95388e+03, 2.61355e+03, 4.74935e+03), forces1[70], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.29404e+03, 3.50134e+03, -4.86504e+02), forces1[71], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.14843e+03, 1.61997e+03, 1.29062e+02), forces1[72], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.61669e+02, 2.47980e+03, 4.78886e+03), forces1[73], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.99354e+03, -1.69720e+02, 2.49340e+03), forces1[74], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.08445e+03, -1.01329e+03, -5.61532e+03), forces1[75], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.35395e+03, -1.97243e+01, -5.03609e+03), forces1[76], TOL);
ASSERT_EQUAL_VEC(Vec3( 3.47258e+03, 1.21225e+03, -2.47694e+03), forces1[77], TOL);
ASSERT_EQUAL_VEC(Vec3( 8.53025e+02, 1.39626e+03, -2.30775e+03), forces1[78], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.74282e+02, 2.21205e+01, 3.40311e+03), forces1[79], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.36776e+02, -4.10780e+01, 2.79555e+03), forces1[80], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.69213e+03, 6.43038e+02, -3.89146e+02), forces1[81], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.01650e+03, -1.17165e+03, -6.24864e+02), forces1[82], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.65143e+03, -1.05607e+03, -2.69230e+03), forces1[83], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.54149e+03, 1.23378e+03, 4.47771e+03), forces1[84], TOL);
ASSERT_EQUAL_VEC(Vec3(-8.11638e+01, 2.00025e+03, -1.71647e+02), forces1[85], TOL);
ASSERT_EQUAL_VEC(Vec3( 9.38381e+02, 1.50858e+03, 3.47900e+03), forces1[86], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.28386e+03, -2.22518e+03, 4.11658e+03), forces1[87], TOL);
ASSERT_EQUAL_VEC(Vec3( 6.58540e+02, 6.72073e+00, 5.59222e+03), forces1[88], TOL);
ASSERT_EQUAL_VEC(Vec3(-7.37375e+02, 1.58093e+03, -4.69233e+03), forces1[89], TOL);
ASSERT_EQUAL_VEC(Vec3( 3.31447e+02, 2.70054e+03, -3.14237e+03), forces1[90], TOL);
ASSERT_EQUAL_VEC(Vec3( 3.57743e+03, 2.12445e+03, 1.15150e+03), forces1[91], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.00033e+03, 8.53614e+02, 1.35134e+03), forces1[92], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.46523e+03, 4.12002e+03, -1.15956e+03), forces1[93], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.47726e+03, -2.12844e+03, -2.30722e+03), forces1[94], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.51392e+03, 2.47607e+02, 1.92133e+03), forces1[95], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.91466e+03, 8.10118e+02, -1.02985e+03), forces1[96], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.37128e+03, -2.45940e+03, 3.70728e+02), forces1[97], TOL);
ASSERT_EQUAL_VEC(Vec3(-5.65127e+01, -3.42531e+01, 9.60430e+03), forces1[98], TOL);
ASSERT_EQUAL_VEC(Vec3( 6.15217e+02, -1.68773e+03, 1.42295e+03), forces1[99], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.09417e+02, 2.10263e+03, 1.04784e+03), forces1[100], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.93317e+03, 2.06687e+03, -1.64072e+03), forces1[101], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.36623e+03, -2.43368e+03, 1.57335e+03), forces1[102], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.66360e+03, -3.56116e+03, 4.66828e+02), forces1[103], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.46239e+03, -2.54761e+03, 7.26200e+02), forces1[104], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.48952e+03, 2.17361e+03, -2.35016e+03), forces1[105], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.04960e+03, 2.83274e+03, 4.20052e+03), forces1[106], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.08299e+03, 1.18791e+03, -4.67708e+03), forces1[107], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.42314e+03, -2.95658e+03, -1.31832e+03), forces1[108], TOL);
ASSERT_EQUAL_VEC(Vec3( 3.76388e+03, 4.33363e+03, 3.15347e+03), forces1[109], TOL);
ASSERT_EQUAL_VEC(Vec3(-8.49993e+02, 1.28674e+03, -5.50558e+03), forces1[110], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.77761e+02, -1.41841e+03, 2.92791e+02), forces1[111], TOL);
ASSERT_EQUAL_VEC(Vec3(-7.08175e+02, -5.37887e+03, 3.78340e+03), forces1[112], TOL);
ASSERT_EQUAL_VEC(Vec3(-5.91441e+02, 2.10098e+03, -4.82150e+00), forces1[113], TOL);
ASSERT_EQUAL_VEC(Vec3(-6.92132e+02, 4.62800e+03, 4.45194e+03), forces1[114], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.31335e+03, 3.51626e+03, -2.57372e+03), forces1[115], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.55816e+03, -1.01211e+03, -5.58678e+03), forces1[116], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.24174e+03, 1.25094e+03, -6.95682e+02), forces1[117], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.93053e+03, -1.12989e+03, -1.22677e+03), forces1[118], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.86217e+02, 4.00249e+02, -2.23733e+03), forces1[119], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.26876e+03, -3.20779e+03, -4.08934e+03), forces1[120], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.18596e+03, -7.37298e+02, 7.15904e+03), forces1[121], TOL);
ASSERT_EQUAL_VEC(Vec3( 3.95098e+03, -3.37054e+03, -2.70316e+03), forces1[122], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.35471e+03, 2.40580e+03, 1.84528e+03), forces1[123], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.61347e+03, -3.36020e+03, -3.99614e+03), forces1[124], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.72566e+03, -1.88479e+03, -1.69932e+03), forces1[125], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.62207e+03, 1.43319e+03, 7.47053e+02), forces1[126], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.80955e+03, -4.54150e+02, 7.21597e+03), forces1[127], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.56885e+01, 1.48364e+03, -1.62205e+03), forces1[128], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.47403e+02, -2.07399e+03, 1.49903e+03), forces1[129], TOL);
ASSERT_EQUAL_VEC(Vec3( 9.86979e+01, 2.60134e+03, 2.12407e+02), forces1[130], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.27811e+03, 3.71499e+03, -4.95036e+03), forces1[131], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.80783e+03, -1.54371e+03, -4.77208e+03), forces1[132], TOL);
ASSERT_EQUAL_VEC(Vec3(-9.61648e+01, -2.59415e+03, 1.96258e+03), forces1[133], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.89381e+02, 4.81189e+03, 9.17885e+02), forces1[134], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.93800e+02, 1.38919e+03, -2.46053e+03), forces1[135], TOL);
ASSERT_EQUAL_VEC(Vec3(-4.62694e+03, 2.35155e+03, 3.91729e+03), forces1[136], TOL);
ASSERT_EQUAL_VEC(Vec3( 5.31966e+03, -8.44013e+02, -3.54397e+03), forces1[137], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.35304e+02, -3.23988e+03, -2.69527e+03), forces1[138], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.44149e+03, -2.15586e+03, 3.15946e+03), forces1[139], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.23043e+02, 2.28842e+03, -3.86313e+03), forces1[140], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.70608e+02, 7.17360e+02, 1.22594e+03), forces1[141], TOL);
ASSERT_EQUAL_VEC(Vec3(-4.21938e+03, 8.98142e+02, 1.48998e+03), forces1[142], TOL);
ASSERT_EQUAL_VEC(Vec3(-6.45287e+02, -9.68214e+02, 1.22919e+03), forces1[143], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.76443e+03, 2.83867e+02, -4.18068e+03), forces1[144], TOL);
ASSERT_EQUAL_VEC(Vec3(-6.06308e+02, 1.35580e+03, 3.57015e+03), forces1[145], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.13396e+03, -2.12738e+03, 4.47039e+00), forces1[146], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.45064e+03, 7.41311e+02, -4.13913e+03), forces1[147], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.08512e+02, 1.56784e+03, 4.52361e+03), forces1[148], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.01824e+02, -2.64844e+03, -2.53109e+03), forces1[149], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.89630e+03, 4.60390e+03, -2.34064e+03), forces1[150], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.39723e+03, 1.74535e+03, 3.47741e+03), forces1[151], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.18808e+03, -1.14056e+03, 5.07060e+02), forces1[152], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.47101e+03, -2.10613e+03, -1.86346e+03), forces1[153], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.73424e+03, -4.59311e+03, -6.97340e+03), forces1[154], TOL);
ASSERT_EQUAL_VEC(Vec3(-4.25831e+02, 2.12782e+03, 6.03112e+02), forces1[155], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.55032e+03, 3.85747e+03, 5.93351e+03), forces1[156], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.28816e+02, -3.00207e+03, 2.10094e+02), forces1[157], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.23671e+03, -1.00832e+03, 2.76637e+03), forces1[158], TOL);
ASSERT_EQUAL_VEC(Vec3(-6.46593e+02, 1.33324e+03, 4.52795e+03), forces1[159], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.37177e+03, 2.53533e+02, -7.78677e+02), forces1[160], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.47620e+03, -1.99006e+02, -3.16482e+03), forces1[161], TOL);
ASSERT_EQUAL_VEC(Vec3(-4.00679e+03, 1.70898e+03, 4.88103e+03), forces1[162], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.52761e+03, -5.32723e+02, 4.40420e+03), forces1[163], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.92570e+03, 3.00581e+03, -4.10543e+03), forces1[164], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.62169e+02, 1.69864e+03, -8.35330e+02), forces1[165], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.40942e+03, -5.87402e+01, 2.05229e+03), forces1[166], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.77206e+03, 2.68955e+02, 9.28640e+02), forces1[167], TOL);
ASSERT_EQUAL_VEC(Vec3(-4.56436e+03, -8.49851e+02, 2.03495e+03), forces1[168], TOL);
ASSERT_EQUAL_VEC(Vec3( 3.17554e+03, -2.75544e+03, 3.21077e+03), forces1[169], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.85777e+03, -1.86570e+03, 1.68128e+02), forces1[170], TOL);
ASSERT_EQUAL_VEC(Vec3(-4.03897e+03, 1.61130e+02, -1.77268e+03), forces1[171], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.72766e+02, 1.73951e+03, -1.87733e+03), forces1[172], TOL);
ASSERT_EQUAL_VEC(Vec3(-6.55527e+02, 2.24951e+03, -4.12361e+03), forces1[173], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.02507e+03, -1.03114e+03, 3.14422e+03), forces1[174], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.43834e+03, 3.75451e+02, 2.19531e+03), forces1[175], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.78662e+03, 3.61832e+02, 6.06302e+03), forces1[176], TOL);
ASSERT_EQUAL_VEC(Vec3( 3.01198e+02, -1.53666e+03, 2.85060e+03), forces1[177], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.07398e+03, 6.61994e+02, -8.61972e+02), forces1[178], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.54259e+03, 9.35531e+02, 2.58246e+03), forces1[179], TOL);
ASSERT_EQUAL_VEC(Vec3(-4.22576e+03, -3.02376e+03, -7.71072e+02), forces1[180], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.76413e+03, -2.59918e+03, 9.81425e+02), forces1[181], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.99912e+03, -2.08518e+03, 2.96759e+03), forces1[182], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.05925e+03, -7.79905e+02, -6.83796e+01), forces1[183], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.17328e+03, -3.35387e+03, -5.62594e+03), forces1[184], TOL);
ASSERT_EQUAL_VEC(Vec3( 4.34398e+03, 1.27413e+03, 1.09523e+03), forces1[185], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.38740e+03, 3.55672e+03, 1.53500e+03), forces1[186], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.14439e+03, 3.47927e+03, -2.29435e+03), forces1[187], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.52579e+03, 1.41487e+03, -6.37862e+03), forces1[188], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.17319e+03, -3.07753e+03, 2.16801e+03), forces1[189], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.61247e+03, 1.39162e+03, -3.30074e+03), forces1[190], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.53680e+03, -5.26042e+02, 1.85855e+03), forces1[191], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.88755e+03, 3.66622e+02, 1.40663e+02), forces1[192], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.97756e+02, -5.48803e+03, 9.38250e+02), forces1[193], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.26511e+03, 1.95703e+03, -3.01994e+03), forces1[194], TOL);
ASSERT_EQUAL_VEC(Vec3( 8.24840e+02, 3.33922e+02, -2.23925e+03), forces1[195], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.16139e+03, 3.33085e+03, -2.67863e+03), forces1[196], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.94535e+03, 4.31827e+02, -1.43010e+03), forces1[197], TOL);
ASSERT_EQUAL_VEC(Vec3(-4.15722e+02, -3.67489e+03, -6.60062e+03), forces1[198], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.08549e+03, -1.10080e+03, 3.87260e+03), forces1[199], TOL);
ASSERT_EQUAL_VEC(Vec3(-7.34195e+02, -2.62191e+03, -6.68007e+02), forces1[200], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.43085e+02, -4.49257e+03, 1.69265e+03), forces1[201], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.61784e+03, 1.36449e+02, 1.89887e+03), forces1[202], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.77060e+03, 1.21537e+03, -1.61977e+03), forces1[203], TOL);
ASSERT_EQUAL_VEC(Vec3(-3.11482e+03, -3.10409e+03, -3.86688e+03), forces1[204], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.21598e+02, 5.26726e+02, 1.90196e+03), forces1[205], TOL);
ASSERT_EQUAL_VEC(Vec3( 1.86923e+03, 3.90716e+02, 1.66422e+03), forces1[206], TOL);
ASSERT_EQUAL_VEC(Vec3(-4.87140e+03, 4.24474e+03, -6.93148e+02), forces1[207], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.07292e+03, -6.60370e+01, -1.35550e+03), forces1[208], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.62135e+03, -4.27394e+03, 3.63843e+03), forces1[209], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.91469e+03, 1.89371e+02, -4.65934e+03), forces1[210], TOL);
ASSERT_EQUAL_VEC(Vec3(-7.40876e+02, -1.17545e+03, 5.03240e+03), forces1[211], TOL);
ASSERT_EQUAL_VEC(Vec3(-5.36901e+02, 1.95912e+03, 2.90388e+03), forces1[212], TOL);
ASSERT_EQUAL_VEC(Vec3(-2.55522e+03, 4.34339e+03, -5.12296e+03), forces1[213], TOL);
ASSERT_EQUAL_VEC(Vec3(-1.08022e+03, -4.69890e+03, 6.58358e+03), forces1[214], TOL);
ASSERT_EQUAL_VEC(Vec3( 2.42115e+03, 2.85514e+03, 5.90927e+03), forces1[215], TOL);
platforms/reference/tests/nacl_crystal.forces_ewald 0 → 100644
View file @ 68ef42c0
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
View file @ 68ef42c0
positions[0] = Vec3( 0.23,0.628,0.113); positions[0] = Vec3(0.230000,0.628000,0.113000);
positions[1] = Vec3(0.137,0.626, 0.15); positions[1] = Vec3(0.137000,0.626000,0.150000);
positions[2] = Vec3(0.231,0.589,0.021); positions[2] = Vec3(0.231000,0.589000,0.021000);
positions[3] = Vec3(-0.307,-0.351,0.703); positions[3] = Vec3(0.225000,0.275000,-0.866000);
positions[4] = Vec3(-0.364,-0.367,0.784); positions[4] = Vec3(0.260000,0.258000,-0.774000);
positions[5] = Vec3(-0.366,-0.341,0.623); positions[5] = Vec3(0.137000,0.230000,-0.878000);
positions[6] = Vec3(-0.569,-0.634,-0.439); positions[6] = Vec3(0.019000,0.368000,0.647000);
positions[7] = Vec3(-0.532,-0.707,-0.497); positions[7] = Vec3(-0.063000,0.411000,0.686000);
positions[8] = Vec3(-0.517,-0.629,-0.354); positions[8] = Vec3(-0.009000,0.295000,0.584000);
positions[9] = Vec3(-0.871, 0.41,-0.62); positions[9] = Vec3(0.569000,-0.587000,-0.697000);
positions[10] = Vec3(-0.948,0.444,-0.566); positions[10] = Vec3(0.476000,-0.594000,-0.734000);
positions[11] = Vec3(-0.905,0.359,-0.699); positions[11] = Vec3(0.580000,-0.498000,-0.653000);
positions[12] = Vec3(0.249,-0.077,-0.621); positions[12] = Vec3(-0.307000,-0.351000,0.703000);
positions[13] = Vec3(0.306,-0.142,-0.571); positions[13] = Vec3(-0.364000,-0.367000,0.784000);
positions[14] = Vec3(0.233,-0.11,-0.714); positions[14] = Vec3(-0.366000,-0.341000,0.623000);
positions[15] = Vec3(0.561,0.222,-0.715); positions[15] = Vec3(-0.119000,0.618000,0.856000);
positions[16] = Vec3(0.599,0.138,-0.678); positions[16] = Vec3(-0.086000,0.712000,0.856000);
positions[17] = Vec3(0.473,0.241,-0.671); positions[17] = Vec3(-0.068000,0.564000,0.922000);
positions[18] = Vec3(-0.515,-0.803,-0.628); positions[18] = Vec3(-0.727000,0.703000,0.717000);
positions[19] = Vec3(-0.491,-0.866,-0.702); positions[19] = Vec3(-0.670000,0.781000,0.692000);
positions[20] = Vec3(-0.605,-0.763,-0.646); positions[20] = Vec3(-0.787000,0.729000,0.793000);
positions[21] = Vec3(-0.021,0.175,-0.899); positions[21] = Vec3(-0.107000,0.607000,0.231000);
positions[22] = Vec3(0.018, 0.09,-0.935); positions[22] = Vec3(-0.119000,0.594000,0.132000);
positions[23] = Vec3(-0.119,0.177,-0.918); positions[23] = Vec3(-0.137000,0.526000,0.280000);
positions[24] = Vec3(-0.422,0.856,-0.464); positions[24] = Vec3(0.768000,-0.718000,-0.839000);
positions[25] = Vec3(-0.479,0.908,-0.527); positions[25] = Vec3(0.690000,-0.701000,-0.779000);
positions[26] = Vec3(-0.326,0.868,-0.488); positions[26] = Vec3(0.802000,-0.631000,-0.875000);
positions[27] = Vec3(-0.369,-0.095,-0.903); positions[27] = Vec3(0.850000,0.798000,-0.039000);
positions[28] = Vec3(-0.336,-0.031,-0.972); positions[28] = Vec3(0.846000,0.874000,0.026000);
positions[29] = Vec3(-0.303,-0.101,-0.828); positions[29] = Vec3(0.872000,0.834000,-0.130000);
positions[30] = Vec3(0.594,0.745,0.652); positions[30] = Vec3(0.685000,-0.850000,0.665000);
positions[31] = Vec3(0.644, 0.83,0.633); positions[31] = Vec3(0.754000,-0.866000,0.735000);
positions[32] = Vec3(0.506,0.747,0.604); positions[32] = Vec3(0.612000,-0.793000,0.703000);
positions[33] = Vec3(-0.157,-0.375,-0.758); positions[33] = Vec3(0.686000,-0.701000,-0.059000);
positions[34] = Vec3(-0.25, -0.4,-0.785); positions[34] = Vec3(0.746000,-0.622000,-0.045000);
positions[35] = Vec3(-0.131,-0.425,-0.676); positions[35] = Vec3(0.600000,-0.670000,-0.100000);
positions[36] = Vec3(0.618,-0.295,-0.578); positions[36] = Vec3(0.335000,-0.427000,-0.801000);
positions[37] = Vec3(0.613,-0.213,-0.521); positions[37] = Vec3(0.257000,-0.458000,-0.854000);
positions[38] = Vec3(0.707,-0.298,-0.623); positions[38] = Vec3(0.393000,-0.369000,-0.858000);
positions[39] = Vec3(0.039,-0.785, 0.3); positions[39] = Vec3(-0.402000,-0.357000,-0.523000);
positions[40] = Vec3(0.138,-0.796,0.291); positions[40] = Vec3(-0.378000,-0.263000,-0.497000);
positions[41] = Vec3(-0.001,-0.871,0.332); 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);
platforms/reference/tests/water_GromacsForces.dat 0 → 100644
View file @ 68ef42c0
ASSERT_EQUAL_VEC(Vec3( 1.53862e+01, -9.40085e+01, 8.09974e+01), forces1[0], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.16025e+01, 3.42647e+01, 7.90920e+01), forces1[1], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.96273e+01, 7.80017e+01, 7.38545e+00), forces1[2], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.28843e+01, -1.89277e+01, -2.54913e+02), forces1[3], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.22785e+01, -3.88301e+01, -2.81351e+02), forces1[4], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.09090e+02, 1.75451e+02, -1.29874e+02), forces1[5], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.95616e+02, 5.36132e+02, -4.55554e+02), forces1[6], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.85944e+02, -1.19523e+02, 7.88721e+01), forces1[7], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.13615e+02, -6.17221e+01, 1.57270e+02), forces1[8], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.66977e+01, -6.36326e+01, 1.65651e+02), forces1[9], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.62216e+00, 1.13905e+02, -5.46500e+01), forces1[10], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.21610e+01, 2.96483e+01, -6.34852e+01), forces1[11], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.01658e+01, 1.07406e+02, 2.69335e+01), forces1[12], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.14730e+01, 9.63730e+01, 1.37884e+02), forces1[13], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.45980e+02, 2.47183e+01, 1.30466e+02), forces1[14], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.15321e+01, 2.08457e+02, 4.15324e+02), forces1[15], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.53856e+02, 6.74890e+01, -7.69439e+01), forces1[16], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.56804e+02, 1.82869e+02, 2.35455e+02), forces1[17], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.78646e+02, 4.16416e+01, -2.55139e+02), forces1[18], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.51530e+01, 3.24295e+01, 1.87664e+01), forces1[19], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.04660e+02, -2.25016e+02, 5.95159e+01), forces1[20], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.93048e+01, 3.22523e+01, 1.06075e+02), forces1[21], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.84792e+01, 1.15745e+02, 9.08190e+01), forces1[22], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.22807e+01, -3.30640e+01, 2.38179e+01), forces1[23], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.10281e+01, 5.37699e+01, 1.70935e+02), forces1[24], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.55507e+01, 2.52756e+02, 1.34829e+02), forces1[25], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.62832e+01, -6.20729e+01, -9.53832e+01), forces1[26], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.93262e+01, -8.64360e+01, -9.20284e+01), forces1[27], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.72500e+00, -1.78213e+02, 1.54062e+01), forces1[28], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.46320e+02, 1.93997e+01, -1.06660e+01), forces1[29], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.02138e+01, 1.84585e+02, -1.96791e+02), forces1[30], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.44392e+01, -1.63547e+02, -1.34078e+02), forces1[31], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.64487e+01, -1.01917e+02, -2.94291e+01), forces1[32], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.62979e+02, -8.44104e+01, 4.45776e+00), forces1[33], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.37054e+02, -1.64893e+01, 1.62445e+02), forces1[34], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.79879e+02, -1.28158e+02, 1.46225e+02), forces1[35], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.18701e+02, 1.96825e+01, 1.78171e+02), forces1[36], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.05936e+01, -1.32890e+02, 3.44742e+01), forces1[37], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.00952e+01, -2.04575e+02, 1.62082e+02), forces1[38], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.48119e+02, -5.51581e+01, 7.61226e+01), forces1[39], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.54706e+02, -7.79318e+01, -1.19613e+02), forces1[40], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.99297e+02, 1.36546e+02, 1.92910e+02), forces1[41], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.30607e+02, 9.45022e+01, -1.15484e+02), forces1[42], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.87492e+01, 3.38234e+01, -1.13593e+02), forces1[43], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.13434e+01, 1.75865e+02, 7.10201e+01), forces1[44], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.98165e+02, -1.81350e+02, -1.38226e+02), forces1[45], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.58294e+02, -1.74709e+02, -1.91109e+02), forces1[46], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.09248e+02, -1.57551e+02, -2.54299e+02), forces1[47], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.75881e+01, -1.06801e+02, -8.62635e+01), forces1[48], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.96592e+02, -1.56687e+01, -9.07580e+01), forces1[49], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.07471e+02, -1.59465e+02, 1.41495e+01), forces1[50], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.97824e+02, -1.58296e+01, -3.62499e+01), forces1[51], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.93794e+01, 2.56345e+01, 5.39562e+01), forces1[52], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.00946e+02, 1.34042e+02, 8.37801e+01), forces1[53], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.44101e+01, 1.04507e+02, -7.20338e+00), forces1[54], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.36940e+02, 1.45544e+02, 7.49711e+01), forces1[55], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.50152e+00, 2.02504e+02, 1.20796e+02), forces1[56], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.94096e+02, -4.04458e+01, 5.69722e+01), forces1[57], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.39977e+01, -1.51534e+02, -4.73434e+01), forces1[58], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.19892e+01, -9.31361e+01, -3.38910e+01), forces1[59], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.17884e+01, 1.00547e+02, -1.33243e+02), forces1[60], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.71112e+01, 6.21495e+01, 1.61566e+02), forces1[61], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.56825e+01, 6.35038e+01, -1.08713e+02), forces1[62], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.42227e+02, 2.10144e+02, 1.68761e+02), forces1[63], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.92938e+02, -1.15636e+02, -2.42672e+02), forces1[64], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.46946e+01, 1.75845e+02, 2.87636e+01), forces1[65], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.35161e+01, -3.00661e+01, -1.51624e+02), forces1[66], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.77087e+01, 1.55190e+02, 2.57432e+01), forces1[67], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.98358e+00, -2.76639e+02, -2.72293e+01), forces1[68], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.05003e+02, 1.07560e+02, 3.34506e+01), forces1[69], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.18245e+01, -1.75537e+01, -9.57309e+01), forces1[70], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.67253e+02, 5.59922e-01, 1.01207e+02), forces1[71], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.62670e+02, -6.88248e+01, -4.21201e+02), forces1[72], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.18113e+02, -5.78800e+01, -2.27353e+02), forces1[73], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.64922e+00, 9.21166e+01, -8.93683e+01), forces1[74], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.12201e+02, -3.27194e+01, 1.34264e+02), forces1[75], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.44131e+01, -7.40189e+01, 1.05403e+02), forces1[76], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.25775e+01, -1.36797e+02, 2.73836e+02), forces1[77], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.10304e+01, 7.16395e+01, 4.68672e+02), forces1[78], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.93444e+01, -2.15029e+02, -6.63119e+01), forces1[79], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.55389e+02, -3.73611e+02, 1.19751e+02), forces1[80], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.45909e+02, -1.24787e+02, 3.49148e+01), forces1[81], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.32739e+01, 2.95694e+02, -5.37526e+01), forces1[82], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.54390e+02, 4.53455e+02, -2.26764e+02), forces1[83], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.41532e+02, 4.99625e+01, -2.51478e+02), forces1[84], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.44295e+02, 3.25984e+02, -1.78338e+02), forces1[85], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.41100e+02, 7.63283e+01, 1.44488e+02), forces1[86], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.38640e+00, 2.32776e+02, 7.67636e+01), forces1[87], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.02516e+01, 2.34037e+02, 1.90372e+02), forces1[88], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.91986e+01, 6.06007e+01, -2.82869e+01), forces1[89], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.17690e+01, 2.95809e+02, 8.76127e+01), forces1[90], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.68695e+02, 3.01744e+02, -4.89279e+01), forces1[91], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.69699e+01, -8.28133e+01, 1.45608e+02), forces1[92], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.06525e+02, -1.67708e+02, -8.84405e+01), forces1[93], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.24225e+02, -2.54622e+02, 6.45408e+01), forces1[94], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.17139e+01, 8.98704e+01, 1.46449e+02), forces1[95], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.77809e+01, -7.22944e+00, -1.54716e+02), forces1[96], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.09684e+01, -7.69721e+01, 4.92171e+01), forces1[97], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.39983e+01, -1.04019e+01, -1.19765e+02), forces1[98], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.69240e+02, -4.03667e+02, -1.80224e+01), forces1[99], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.94854e+01, 1.06162e+02, 2.06747e+02), forces1[100], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.37669e+02, 1.53252e+02, 2.04131e+02), forces1[101], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.32814e+02, 6.44910e+01, -3.37777e+02), forces1[102], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.66103e+02, 8.69357e+01, -1.09283e+02), forces1[103], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.18540e+01, 6.11078e+01, -1.30500e+02), forces1[104], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.89128e+02, -2.65106e+02, -1.28996e+02), forces1[105], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.45378e+01, -3.81579e+02, -1.11586e+02), forces1[106], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.79366e+01, -2.27092e+02, 2.32158e+02), forces1[107], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.14303e+02, 1.21953e+02, 3.08605e+01), forces1[108], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.95355e+02, 2.38433e+02, -3.78260e+01), forces1[109], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.25306e+02, -5.62806e+01, 2.93849e+02), forces1[110], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.32541e+02, 1.53253e+02, 1.18339e+02), forces1[111], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.26061e+02, 1.22366e+02, 6.31712e+00), forces1[112], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.68565e+02, 9.40491e+01, 4.12643e+01), forces1[113], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.19917e+02, -1.43527e+02, -2.21682e+02), forces1[114], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.93757e+01, 9.98556e+01, 7.38225e+01), forces1[115], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.87240e+01, -7.40610e+01, 1.37672e+02), forces1[116], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.90455e+01, -9.52131e+01, -4.21601e+02), forces1[117], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.97078e+02, 2.45509e+02, 9.26765e+01), forces1[118], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.98206e+02, 1.14032e+02, 8.71204e+01), forces1[119], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.19803e+02, 1.82722e+01, -3.52888e+00), forces1[120], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.30623e+02, 7.51475e-01, -4.84435e+01), forces1[121], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.02126e+01, 5.55326e+01, 2.67927e+00), forces1[122], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.87364e+02, 1.76214e+02, -3.09445e+02), forces1[123], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.85190e+02, -1.63720e+02, -7.15048e+01), forces1[124], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.65174e+02, -1.33924e+02, -6.94217e+01), forces1[125], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.39913e+00, 2.52232e+01, 5.05709e+01), forces1[126], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.63349e+02, 9.56277e+01, 5.30812e+01), forces1[127], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.92027e+01, -9.44704e+01, -7.51200e+00), forces1[128], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.24094e+02, 7.38856e+01, 1.76005e+02), forces1[129], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.92944e+01, 3.02317e+02, 1.39375e+02), forces1[130], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.66291e+01, 1.41333e+02, 6.15473e+00), forces1[131], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.36178e+01, -1.58532e+01, -8.84526e+00), forces1[132], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.48146e+01, -3.41461e+01, -5.24216e+01), forces1[133], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.99809e+01, 1.02879e+01, -5.01739e+01), forces1[134], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.62285e+02, -4.90274e+01, 3.03601e+01), forces1[135], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.06458e+02, -3.96124e+01, 1.03454e+02), forces1[136], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.29243e+02, 6.18585e+01, -1.77272e+02), forces1[137], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.15853e+02, 2.19635e+02, -4.11751e+02), forces1[138], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.16425e+01, 8.23178e+01, 4.42405e+02), forces1[139], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.21858e+01, 4.82821e+01, 1.93947e+02), forces1[140], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.03450e+00, 2.30768e+01, 4.96796e+01), forces1[141], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.67572e+01, 7.23375e+01, 6.32957e+01), forces1[142], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.67345e+01, 1.26459e+01, 8.78382e+01), forces1[143], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.43687e+02, 1.76648e+01, 3.89767e+01), forces1[144], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.77056e+01, -9.46510e+01, -1.60263e+02), forces1[145], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.49800e+01, -2.68488e+01, 4.35106e+01), forces1[146], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.46710e+02, -5.25895e+01, -5.40524e+01), forces1[147], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.33729e+01, -4.69399e+01, -7.85015e+01), forces1[148], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.78265e+02, 3.19667e+00, -1.14997e+02), forces1[149], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.93773e+02, 7.50014e+01, -6.05331e+01), forces1[150], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.41372e+02, 1.04392e+02, -1.69148e+02), forces1[151], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.16023e+01, -7.84331e+00, -3.50072e+01), forces1[152], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.91752e+02, -8.75055e+01, 2.06764e+01), forces1[153], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.24104e+01, 2.55823e+02, 5.03937e+01), forces1[154], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.44493e+01, -1.88359e+02, -2.96664e+02), forces1[155], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.95569e+01, -1.48556e+02, -3.25981e+01), forces1[156], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.87067e+01, -3.24463e+01, -4.72036e+01), forces1[157], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.57426e+01, -4.76206e+01, -4.60343e+01), forces1[158], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.72900e+01, 5.41697e-01, -1.00543e+02), forces1[159], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.18469e+01, -6.73531e+00, 1.21198e+02), forces1[160], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.22925e+01, -1.12784e+01, 1.43764e+02), forces1[161], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.83447e+00, -1.45820e+01, -1.70105e+02), forces1[162], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.76068e+01, -7.28345e+00, -1.56973e+02), forces1[163], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.79090e+01, -1.92976e+02, -1.29871e+02), forces1[164], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.93110e+01, -1.12724e+02, 2.45046e+01), forces1[165], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.69833e+02, -9.82967e+01, 5.93923e+01), forces1[166], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.02085e+02, 9.27636e+00, 6.98988e+01), forces1[167], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.84338e+01, 1.41909e+02, -4.11691e+01), forces1[168], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.23626e+02, -1.04296e+02, 4.77490e+01), forces1[169], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.37003e+01, 4.13719e+01, 1.29790e+02), forces1[170], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.42874e+02, -8.32344e+01, -3.05737e+01), forces1[171], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.41293e+01, 7.66533e+01, 1.00918e+02), forces1[172], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.02752e+02, -3.11320e+01, -2.04248e+01), forces1[173], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.71192e+01, -3.13758e+02, 2.83511e+02), forces1[174], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.43170e+02, 1.60859e+02, 6.31587e+01), forces1[175], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.26734e+02, 1.91452e+02, -1.93402e+00), forces1[176], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.10931e+02, -1.64391e+01, -6.86948e+01), forces1[177], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.38600e+01, 2.32825e+02, -5.25593e+00), forces1[178], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.54520e+01, -1.88445e+02, -4.29131e+01), forces1[179], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.24785e+02, -1.05275e+02, -2.98944e+01), forces1[180], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.05063e+02, -6.53701e+01, 3.24520e+01), forces1[181], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.53521e+01, -9.04667e+01, -1.59980e+01), forces1[182], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.53764e+01, -3.04915e+01, 1.37888e+02), forces1[183], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.08932e+02, -9.35386e+01, -1.80955e+01), forces1[184], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.64566e+02, -1.70413e+02, -1.27317e+01), forces1[185], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.22672e+02, -3.22897e+02, 3.76674e+00), forces1[186], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.09547e+01, 3.37045e+02, -2.28878e+02), forces1[187], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.33946e+01, -1.01157e+02, -5.42970e+01), forces1[188], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.88672e+01, 2.85116e+01, -8.06985e-01), forces1[189], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.46034e+01, 1.78114e+02, -8.00020e+01), forces1[190], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.94640e+01, -7.09864e+01, 1.32544e+02), forces1[191], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.87772e+01, 8.20162e+01, -9.03433e+01), forces1[192], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.88680e+00, 8.72448e+01, -2.61573e+01), forces1[193], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.28593e+01, 2.51197e+00, -5.73722e+01), forces1[194], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.80417e+01, -7.37577e+01, 1.00134e+02), forces1[195], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.56974e+01, 6.72072e+00, -3.81539e+01), forces1[196], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.19232e+01, -3.54500e+01, 8.29318e+01), forces1[197], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.04113e+01, -4.41970e+01, 1.03326e+02), forces1[198], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.90881e+01, -1.12057e+02, 4.49403e+01), forces1[199], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.92007e+01, 3.55272e+01, -2.40127e+02), forces1[200], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.43562e+02, 6.23027e+02, -2.49264e+02), forces1[201], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.76198e+02, -3.02372e+02, 1.62332e+02), forces1[202], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.20299e+02, -2.27586e+02, 5.80333e+01), forces1[203], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.39488e+01, -1.07027e+00, -2.95203e+01), forces1[204], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.73263e+01, -1.08485e+02, 5.71183e+00), forces1[205], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.00039e+01, -2.49895e+02, 3.39192e+01), forces1[206], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.29623e+01, 1.32732e+02, 2.08741e+01), forces1[207], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.25554e+02, -1.56772e+01, -1.08164e+02), forces1[208], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.38717e+01, 1.52424e+01, 4.36131e+01), forces1[209], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.76367e+01, 1.13676e+02, -8.52759e+01), forces1[210], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.96298e+01, -9.30520e+01, -2.23851e+01), forces1[211], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.75027e+01, 1.64821e+02, 6.78676e+01), forces1[212], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.64028e+02, 3.12107e+01, 8.76753e+01), forces1[213], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.72632e+01, 5.28099e+01, 1.69700e+01), forces1[214], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.40135e+02, -7.08379e+01, -1.93293e+02), forces1[215], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.76562e+01, 2.29918e+02, 1.30609e+02), forces1[216], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.81640e+01, -2.90103e+02, 1.36757e+00), forces1[217], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.79291e+01, -2.93974e+02, 1.15436e+02), forces1[218], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.17338e+02, 1.11581e+02, 3.46029e+01), forces1[219], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.13346e+01, 3.15582e+01, 8.34550e+01), forces1[220], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.57677e+01, 1.77750e+01, 1.01067e+02), forces1[221], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.49827e+02, 8.44938e+01, 1.82793e+02), forces1[222], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.35999e+02, -1.89848e+02, -2.50760e+02), forces1[223], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.41970e+02, -1.87691e+02, -2.44756e+02), forces1[224], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.37302e+02, 8.71479e+01, -2.13793e+02), forces1[225], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.45010e+01, 2.44686e+02, -1.46416e+02), forces1[226], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.31020e+02, 1.28244e+02, 7.71140e+01), forces1[227], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.53744e+01, 1.29065e+02, 2.11056e+02), forces1[228], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.21924e+01, 9.95419e+00, -1.07719e+02), forces1[229], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.85756e+01, 9.52314e+01, 8.76358e+01), forces1[230], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.93957e+00, 1.53656e+02, -1.13339e+02), forces1[231], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.02172e+02, 8.87905e+01, -2.13701e+02), forces1[232], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.68099e+01, 1.91141e+02, 4.82221e+01), forces1[233], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.92679e+02, -2.47187e+02, 6.66851e+01), forces1[234], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.09980e+02, -1.43568e+02, -3.01739e+01), forces1[235], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.33167e+02, -3.32798e+02, 5.34600e+01), forces1[236], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.24223e+01, 9.76875e+00, 4.47725e+01), forces1[237], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.69405e+01, -8.41132e+01, -5.38952e+01), forces1[238], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.12010e+01, 1.44242e+01, -1.42070e+01), forces1[239], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.96477e+02, -4.50656e+02, 1.11329e+02), forces1[240], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.39163e+02, 1.76905e+02, 5.32392e+00), forces1[241], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.19746e+02, 1.76406e+02, 1.08727e+01), forces1[242], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.59625e+01, 1.08166e+01, 1.58314e+02), forces1[243], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.06176e+00, 1.91897e+01, 1.04092e+02), forces1[244], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.25838e+02, -4.67771e+00, -5.29138e+01), forces1[245], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.85855e+01, 1.78805e+01, -1.25884e+02), forces1[246], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.10798e+02, 9.15074e+01, 1.95780e+02), forces1[247], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.10572e+01, -1.48442e+02, 4.74169e+01), forces1[248], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.25479e+02, 2.55010e+01, 8.47576e+01), forces1[249], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.10701e+02, -6.73355e+01, 1.19913e+02), forces1[250], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.70376e+01, -6.37904e+00, 1.26145e+02), forces1[251], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.37588e+02, 1.02142e+02, 3.67769e+02), forces1[252], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.52584e+01, -7.07147e+01, 1.73165e+02), forces1[253], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.33450e+01, -2.18105e+02, -1.55636e+02), forces1[254], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.29365e+02, 7.78338e+01, -3.82730e+01), forces1[255], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.57375e+02, -6.66875e+01, -5.81031e+01), forces1[256], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.78245e+01, -1.40991e+01, 3.12933e+01), forces1[257], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.87648e+01, 2.74231e+02, 7.27232e+01), forces1[258], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.14936e+02, 1.20339e+01, -1.48413e+02), forces1[259], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.06217e+02, -3.13647e+01, -1.68616e+02), forces1[260], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.25106e+02, -2.60277e+02, -1.61136e+02), forces1[261], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.70346e+02, -9.32224e+00, -5.51717e+01), forces1[262], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.83465e+01, -2.28314e+02, -2.29566e+02), forces1[263], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.96075e+01, 1.48719e+02, 9.34688e+01), forces1[264], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.71370e+02, 1.70586e+02, -9.94963e+01), forces1[265], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.40521e+01, -1.08310e+02, 3.14259e+01), forces1[266], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.40452e+02, -2.41911e+02, 1.64059e+02), forces1[267], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.58929e+02, -1.31148e+02, -5.32733e+01), forces1[268], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.63751e+01, -2.73274e+02, -8.70685e+00), forces1[269], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.31634e+02, 2.19012e+02, -9.03802e+01), forces1[270], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.18020e+02, -1.92997e+01, -5.66165e+00), forces1[271], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.73518e+01, -3.11848e+01, -1.30020e+02), forces1[272], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.17466e+01, -3.68264e+02, 2.52209e+02), forces1[273], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.05037e+02, -1.84548e+02, -2.29593e+02), forces1[274], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.33053e+02, -1.07748e+02, -3.35660e+02), forces1[275], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.26641e+00, -2.78635e+00, -6.24895e+01), forces1[276], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.89712e+01, -4.30328e+01, -1.35221e+02), forces1[277], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.08792e+01, 8.56090e+01, 7.01326e+01), forces1[278], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.41320e+01, 1.50690e+02, -3.83537e+01), forces1[279], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.77423e+01, 7.38950e+01, 4.53469e+01), forces1[280], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.26780e+02, 1.02539e+02, -1.85815e+02), forces1[281], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.00799e+01, 1.14102e+02, -1.69102e+02), forces1[282], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.76513e+01, 8.40729e+01, 4.44592e+01), forces1[283], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.26467e+01, 5.77168e+01, 6.22600e+01), forces1[284], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.50347e+02, 3.61081e+02, -9.77920e+00), forces1[285], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.74580e+01, -5.17134e+01, -4.47767e+02), forces1[286], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.34437e+01, -3.97370e+02, -1.13442e+02), forces1[287], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.99880e+01, 2.09852e+02, 5.14899e+02), forces1[288], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.66190e+02, -2.26561e+02, 2.12404e+02), forces1[289], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.70999e+02, -2.62349e+02, -1.29205e+01), forces1[290], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.14337e+01, 5.49849e+01, 1.43268e+02), forces1[291], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.68620e+02, 3.93466e+00, 5.58857e+01), forces1[292], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.80270e+02, -1.13992e+01, 5.41069e+01), forces1[293], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.97739e+00, 1.29408e+02, -5.46560e+01), forces1[294], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.63236e+02, -1.28719e+02, 3.12749e+02), forces1[295], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.22808e+01, 1.12193e+02, 7.28319e+01), forces1[296], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.99596e+01, 2.53709e+02, 4.53500e+01), forces1[297], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.27720e+01, 8.59763e+01, 6.45557e+01), forces1[298], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.27058e+02, 1.22472e+01, 1.29561e+01), forces1[299], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.06664e+01, -9.58809e+01, -3.53582e+01), forces1[300], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.53970e+01, 5.12101e+01, 1.16686e+02), forces1[301], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.73120e+02, -1.27943e+02, -7.31003e+01), forces1[302], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.71294e+01, 2.17024e+02, 9.31014e+01), forces1[303], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.68161e+01, -1.85137e+02, 1.09745e+02), forces1[304], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.01521e+02, 5.92488e+00, -4.76997e+01), forces1[305], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.65074e+02, -7.65780e+01, -1.09596e+02), forces1[306], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.97306e+01, 3.84936e+01, 3.18940e+02), forces1[307], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.03733e+01, -3.14806e+01, -1.59317e+02), forces1[308], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.43092e+01, -1.29125e+02, 1.63512e+02), forces1[309], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.96060e+02, 5.77380e+01, -1.44479e+02), forces1[310], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.06352e+01, 5.46684e+00, 1.26620e+02), forces1[311], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.68377e+01, 1.94905e+02, 2.46429e+02), forces1[312], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.30349e+02, 9.49772e+01, -1.35362e+02), forces1[313], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.38512e+01, 6.40803e+01, 8.45394e+00), forces1[314], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.42175e+01, -1.59403e+00, -1.30405e+02), forces1[315], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.35848e+01, -4.54779e+00, -1.44903e+02), forces1[316], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.11989e+02, -1.18639e+01, -1.17828e+02), forces1[317], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.49970e+02, 6.35046e+01, -2.88805e+01), forces1[318], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.44126e+01, -6.56825e+01, -1.14100e+02), forces1[319], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.77255e+01, -3.66261e+01, -1.19649e+02), forces1[320], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.97007e+01, 1.88165e+01, 4.66627e+01), forces1[321], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.11016e+01, 1.60276e+01, -8.72109e+01), forces1[322], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.62297e+01, 1.86600e+02, 7.68552e+01), forces1[323], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.39138e+02, 2.21671e+02, 8.47440e+01), forces1[324], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.74277e+02, -6.06765e+01, -4.23965e+01), forces1[325], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.63159e+02, -6.13787e+01, -2.54964e+01), forces1[326], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.00529e+01, -6.56450e+01, -3.53408e+01), forces1[327], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.27153e+01, -9.16080e+01, -6.10037e+00), forces1[328], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.07795e+01, -6.31786e+01, 3.97424e+01), forces1[329], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.69043e+01, 2.05417e+02, -1.55673e+02), forces1[330], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.55098e+01, 6.25556e+01, -9.57571e+01), forces1[331], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.75174e+00, -7.00953e+01, -1.65779e+01), forces1[332], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.48906e+02, -9.37035e+01, -1.37237e+02), forces1[333], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.05834e+02, -1.77865e+02, -2.97998e+02), forces1[334], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.28005e+02, -1.09597e+02, -1.57769e+02), forces1[335], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.72019e+01, -2.11978e+02, -5.75568e+01), forces1[336], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.47436e+00, -2.09055e+01, 9.54998e+01), forces1[337], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.00282e+01, -1.18118e+02, 7.20331e+01), forces1[338], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.27051e+01, 3.88512e+01, -3.37338e+02), forces1[339], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.92361e+02, 4.97166e+01, -2.72135e+02), forces1[340], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.01809e+02, 3.12384e+01, -1.44869e+02), forces1[341], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.70524e+01, 6.01604e+01, -1.29958e+01), forces1[342], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.75977e+01, -6.85964e+01, 5.29205e+01), forces1[343], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.82625e+01, 5.36498e+01, -1.27179e+02), forces1[344], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.48158e+02, 1.18954e+01, 1.03589e+02), forces1[345], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.76540e+01, 8.31945e+01, 6.88425e-01), forces1[346], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.36393e+01, 5.97150e+00, 5.92665e+01), forces1[347], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.35596e+01, -3.45187e+01, -8.71186e+01), forces1[348], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.14736e+01, 1.99758e+01, 3.17942e+01), forces1[349], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.15299e+01, -6.78140e+01, -1.20761e+02), forces1[350], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.48161e+02, 1.61995e+02, -2.00364e+01), forces1[351], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.91715e+02, 4.15257e+01, -1.01480e+02), forces1[352], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.53537e+02, 2.47464e+01, -9.32184e+01), forces1[353], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.26331e+02, -1.50752e+02, 3.87836e+02), forces1[354], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.80549e+02, -1.04529e+02, 2.64609e+02), forces1[355], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.33299e+00, -1.04191e+02, 2.43081e+02), forces1[356], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.49417e+02, -2.10331e+02, -2.12391e+02), forces1[357], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.64496e+01, -8.65224e+01, 2.09075e+02), forces1[358], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.26786e+02, -1.04116e+02, 2.42460e+02), forces1[359], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.67930e+01, 5.02589e+01, 7.66782e+01), forces1[360], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.64137e+01, -5.87259e+01, 1.21975e+02), forces1[361], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.49708e+02, -5.25609e+01, -2.18329e+02), forces1[362], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.57850e+02, 5.04311e+02, -5.05894e+01), forces1[363], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.62212e+01, -2.94583e+02, 1.54045e+02), forces1[364], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.61638e+01, -1.84431e+02, 1.13710e+02), forces1[365], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.06173e+02, 9.36425e+01, 2.20592e+02), forces1[366], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.52623e+02, 1.46025e+02, 8.97291e+01), forces1[367], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.54323e+01, 2.26018e+02, 3.46087e+02), forces1[368], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.27183e+02, -2.09440e+01, -1.89634e+02), forces1[369], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.73506e+02, 2.01241e+02, 5.03574e+01), forces1[370], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.14771e+02, 1.73517e+02, 2.04777e+02), forces1[371], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.08803e+02, -4.69136e+01, 3.13410e+01), forces1[372], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.70333e+01, -9.14230e+01, 2.67645e+01), forces1[373], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.42054e+01, -1.04732e+02, -1.88134e+00), forces1[374], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.41157e+02, -1.07118e+02, 1.67297e+02), forces1[375], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.48356e+01, -8.47055e+01, 2.43285e+02), forces1[376], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.80449e+01, -1.46446e+02, 1.85386e+01), forces1[377], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.80687e+00, -6.96210e+01, 1.25177e+01), forces1[378], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.23687e+01, -9.93136e+01, 1.45164e+00), forces1[379], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.95215e+00, 1.37747e+01, 4.23959e+00), forces1[380], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.62211e+01, 5.78277e+02, 3.68049e+01), forces1[381], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.65270e+02, -1.15374e+02, 1.18132e+02), forces1[382], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.66667e+02, -8.49100e+01, 2.96994e+02), forces1[383], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.99785e+02, 2.24069e+02, 2.30458e+01), forces1[384], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.83662e+01, 2.02857e+01, 5.16795e+01), forces1[385], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.30910e+02, -2.01579e+02, 1.48973e+02), forces1[386], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.48803e+01, -2.39996e+02, -6.71369e+01), forces1[387], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.45565e+02, -2.03246e+02, -2.90114e+02), forces1[388], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.28809e+01, 1.07210e+02, 5.79218e+01), forces1[389], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.33045e+01, 4.29217e+01, -2.51884e+01), forces1[390], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.01216e+02, 7.87171e+01, -8.84528e+01), forces1[391], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.94984e+01, -1.82575e+00, 6.60948e+01), forces1[392], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.01760e+01, 1.13645e+02, 1.03720e+02), forces1[393], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.02227e+01, -1.82477e+02, -1.93295e+02), forces1[394], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.88739e+01, -7.04682e+01, -1.97902e+02), forces1[395], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.08208e+02, 2.04314e+02, -9.77061e+01), forces1[396], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.97001e+02, -3.37469e+01, 1.30428e+02), forces1[397], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.39859e+01, 1.55789e+02, 9.33634e+01), forces1[398], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.71075e+01, 1.01907e+02, -1.62363e+02), forces1[399], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.51477e+02, -1.49509e+02, 2.38020e+01), forces1[400], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.62232e+02, 1.06486e+02, 1.02031e+02), forces1[401], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.24938e+01, 1.19921e+02, -9.62759e+01), forces1[402], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.56992e+01, -1.10020e+02, 1.49108e+02), forces1[403], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.10656e+01, 2.79604e+01, 1.91755e+02), forces1[404], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.74338e+00, -7.08051e+01, -1.05929e+02), forces1[405], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.64700e+02, -1.27130e+02, -5.91595e+01), forces1[406], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.30385e+01, 2.08802e+01, -3.57840e+01), forces1[407], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.08287e+02, 2.29771e+01, -2.26233e+02), forces1[408], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.58650e+02, -1.14832e+02, -1.67121e+02), forces1[409], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.19177e+02, 9.05557e+01, 3.00496e+02), forces1[410], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.59854e+01, -1.24855e+02, 1.73507e+02), forces1[411], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.01537e+02, -3.21500e+01, -1.62947e+02), forces1[412], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.68513e+01, 7.25403e+01, 1.10509e+02), forces1[413], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.74676e+01, 1.99661e+02, -3.30448e+02), forces1[414], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.89877e+02, -5.06918e+01, 2.07261e+02), forces1[415], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.05311e+01, 7.99589e+01, -9.81659e+01), forces1[416], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.19039e+02, 7.86478e+01, -1.36094e+02), forces1[417], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.39276e+01, 1.04302e+02, -1.99319e+02), forces1[418], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.07836e+01, -7.02154e+01, -3.20077e+01), forces1[419], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.04021e+01, -2.95668e+01, -9.62964e+01), forces1[420], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.13789e+01, 2.11057e+01, -7.24998e+01), forces1[421], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.89102e+01, -6.59244e+01, -8.40365e+01), forces1[422], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.19672e+02, -4.01191e+01, 6.57098e+01), forces1[423], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.87553e+01, -8.69171e+01, 2.43178e+01), forces1[424], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.67881e+01, -1.94017e+02, 4.85473e+01), forces1[425], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.07150e+02, -1.99734e+02, -2.09862e+01), forces1[426], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.36179e+02, 1.95193e+01, -1.32315e+02), forces1[427], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.23323e+02, -6.31094e+01, -8.32846e+01), forces1[428], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.02495e+00, -1.45980e+02, 5.02494e+02), forces1[429], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.25222e+01, 1.02561e+02, 1.77325e+01), forces1[430], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.12695e+02, 3.15051e+02, -4.46404e+01), forces1[431], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.92031e+02, -9.89024e+01, -3.74688e+02), forces1[432], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.43199e+01, 7.50213e+01, 1.10375e+02), forces1[433], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.10558e+01, 2.43859e+02, 5.47498e+01), forces1[434], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.97703e+01, -1.48364e+02, -1.17638e+02), forces1[435], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.62397e+01, 4.88941e+01, -2.71595e+02), forces1[436], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.31340e+01, -8.20624e+01, 1.16191e+02), forces1[437], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.38517e+02, -7.62394e+01, -5.88168e+00), forces1[438], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.62851e+01, 6.72427e+01, -1.80434e+01), forces1[439], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.58861e+02, 1.15957e+02, -3.78160e+01), forces1[440], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.51803e+02, -4.12446e+01, -8.91525e+01), forces1[441], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.61287e+01, -1.36689e+02, -9.23537e+00), forces1[442], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.82943e+02, 1.05844e+02, -1.72148e+02), forces1[443], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.55236e+01, 9.18378e+01, 1.24360e+01), forces1[444], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.01227e+01, 8.39026e+01, 3.96741e+02), forces1[445], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.87558e+01, 5.47395e+01, -5.73402e+00), forces1[446], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.60796e+02, -5.52985e+01, 3.17802e+01), forces1[447], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.11619e+02, 1.11090e+02, 1.51495e+02), forces1[448], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.78213e+01, -1.33902e+02, 1.13590e+02), forces1[449], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.74607e+02, -2.79326e+02, -1.00171e+02), forces1[450], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.47808e+01, -1.29366e+02, -1.92232e+02), forces1[451], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.75509e+00, 1.63688e+01, -3.24829e+02), forces1[452], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.93082e+01, -2.44679e+02, 7.91941e+01), forces1[453], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.41263e+01, 9.35389e+01, 9.69223e+01), forces1[454], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.76713e+02, 1.98982e+02, 2.68113e+01), forces1[455], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.79544e+01, 6.96513e+01, -1.90320e+02), forces1[456], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.34104e+02, 2.74828e+01, -3.93803e+01), forces1[457], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.28254e+02, -1.35572e+02, -4.32733e+01), forces1[458], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.28600e+01, 3.07094e+00, -3.78996e+01), forces1[459], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.03587e+02, 1.77989e+02, -6.99490e+01), forces1[460], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.08656e+02, -4.54770e+01, -6.76500e+01), forces1[461], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.71838e+01, 5.19782e+01, -2.94923e+01), forces1[462], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.40301e+02, 2.74572e+02, -3.56579e+01), forces1[463], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.03587e+01, -3.16257e+01, -7.72873e+01), forces1[464], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.67138e+02, -7.24846e+01, -6.24143e+01), forces1[465], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.03813e+00, 9.49458e+01, 3.72519e+01), forces1[466], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.14010e+01, 6.47582e+01, 1.42218e+02), forces1[467], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.20325e+01, 1.99039e+02, 3.65580e+02), forces1[468], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.42970e+02, -8.88587e+01, 1.72171e+02), forces1[469], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.90803e+01, -2.60758e+02, 1.15577e+02), forces1[470], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.52557e+02, -8.51485e+00, -1.82612e+02), forces1[471], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 5.19978e+00, 1.82368e+02, 4.96817e+01), forces1[472], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.60405e+02, -5.75249e+01, 4.30526e+01), forces1[473], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.05782e+01, -1.01381e+02, 5.21152e+01), forces1[474], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.98251e-01, 1.60005e+02, 2.94808e+01), forces1[475], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.38812e+02, -2.31535e+02, 1.88049e+02), forces1[476], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.81939e+01, 1.28753e+02, -1.67824e+02), forces1[477], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.23875e+02, 1.55757e+02, -2.79290e+02), forces1[478], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.68146e+01, 8.00636e+01, 1.82356e+00), forces1[479], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.81555e+02, -2.44338e+02, -1.67866e+02), forces1[480], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.60882e+02, 1.64545e+02, 1.24397e+02), forces1[481], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.43347e+02, 1.22527e+02, 2.15375e+02), forces1[482], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.75592e+02, -3.02264e+02, 3.12921e+02), forces1[483], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.42347e+02, 1.64524e+02, 1.46878e+02), forces1[484], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.44791e+00, 6.90323e+01, -3.86573e+01), forces1[485], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.00184e+02, -1.07891e+02, 3.14068e+01), forces1[486], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.40711e+01, 1.27511e+01, 5.66277e+01), forces1[487], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.74580e+02, -1.14306e+02, -1.37535e+02), forces1[488], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.98657e+01, 2.19658e+02, -7.96343e+01), forces1[489], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.90069e+02, 1.36943e+02, -1.78217e+02), forces1[490], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.64334e+01, 2.56388e+02, -8.52711e+01), forces1[491], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.38510e+01, -1.61329e+02, 2.59550e+02), forces1[492], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-8.11033e+01, -7.18533e+01, 7.75259e+00), forces1[493], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.05854e+02, 3.14397e+02, -4.61488e+02), forces1[494], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.69218e+02, 1.76533e+02, 2.08605e+02), forces1[495], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.06655e+01, -6.09886e+02, -6.99069e+01), forces1[496], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.19305e+02, -1.88157e+02, 1.20294e+02), forces1[497], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.74817e+01, -1.67738e+01, -7.85411e+00), forces1[498], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.56252e+00, -4.35681e+01, -6.24241e+01), forces1[499], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.73399e+01, 1.15493e+02, 9.92190e+01), forces1[500], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.58626e+01, 9.15080e+01, 3.20924e+00), forces1[501], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.09582e+01, -1.76054e+01, 6.71996e+00), forces1[502], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.59525e+01, 1.83369e+02, -1.70381e+02), forces1[503], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.32243e+01, 3.37044e+01, -6.27663e+01), forces1[504], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.91590e+01, -5.93696e+01, -7.26003e+01), forces1[505], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.74042e+00, 7.24544e+01, 5.83752e+01), forces1[506], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.35769e+01, 4.35961e+02, 7.54309e+01), forces1[507], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.81578e+02, -1.82955e+02, -1.36110e+02), forces1[508], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.53200e+02, -2.25646e+01, -1.26235e+02), forces1[509], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.02017e+01, 7.54878e+01, -9.98370e+01), forces1[510], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.56935e+01, 7.19882e+00, -3.07487e+02), forces1[511], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.60290e+01, 4.63810e+01, -1.39429e+02), forces1[512], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.36883e+02, -2.71943e+02, 1.90138e+01), forces1[513], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.95573e+01, -1.31976e+02, -1.48737e+02), forces1[514], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.61876e+02, 1.02997e+02, -1.00309e+02), forces1[515], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.73595e+00, 3.79678e+01, 9.45418e+01), forces1[516], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.60218e+00, -7.40917e+01, -2.21371e+01), forces1[517], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.27199e+02, 1.31094e+02, 1.12529e+02), forces1[518], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.04103e+02, 4.69682e+01, -1.18068e+02), forces1[519], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.12794e+01, -1.26833e+02, -4.04741e+01), forces1[520], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.09384e+01, 1.86161e+02, 3.95213e+01), forces1[521], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.91470e+02, 8.17955e+01, -9.25509e+01), forces1[522], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.33121e+01, 7.77548e-01, -1.48384e+02), forces1[523], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.52149e+02, -1.00219e+02, -7.57906e+01), forces1[524], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.46003e+02, -1.03331e+01, 1.17347e+01), forces1[525], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.09634e+00, 1.43847e+02, -1.42581e+02), forces1[526], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.68641e+02, 6.25042e+01, -7.01507e+01), forces1[527], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.49802e+01, 2.37203e+02, -2.40370e+02), forces1[528], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.85669e+01, -1.41784e+02, 4.28138e+01), forces1[529], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.75729e+01, -3.33632e+02, 1.31688e+02), forces1[530], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.04035e+02, 1.12452e+02, 7.19995e+01), forces1[531], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.61972e+00, 5.32166e+01, -9.89477e+01), forces1[532], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.19982e+01, -2.20164e+02, 9.06987e-01), forces1[533], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.71185e+01, -7.67379e+01, 8.12237e+01), forces1[534], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.80057e+01, -1.09793e+02, -2.04253e+01), forces1[535], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.16821e+02, 1.20240e+02, 5.96457e+01), forces1[536], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.64018e+01, 6.17819e+01, 9.91575e+01), forces1[537], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.55515e+01, -9.66187e+01, -8.19956e+00), forces1[538], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.17947e+01, -1.53378e+01, 1.27485e+00), forces1[539], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.02055e+02, 7.70776e+01, 1.14883e+02), forces1[540], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.43124e+01, 9.43473e+01, 8.60578e+01), forces1[541], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.81264e+01, -1.32125e+02, 2.56224e+01), forces1[542], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.25842e+01, -1.26725e+02, -8.30650e+01), forces1[543], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.50125e+01, -6.20165e+01, 2.58080e+01), forces1[544], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.55319e+01, -1.59769e+01, -7.15921e+01), forces1[545], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.34804e+01, 4.08590e+02, -8.70023e+01), forces1[546], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.53654e+01, -2.03185e+02, -4.39618e+01), forces1[547], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.62931e+01, -2.78936e+02, 5.62579e+00), forces1[548], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.92745e+01, -9.69829e+01, -3.54599e+01), forces1[549], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.58047e+01, -8.17034e+01, 5.89773e+01), forces1[550], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.75002e+01, -7.94191e+01, 7.55542e+01), forces1[551], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-9.53611e+01, 1.20621e+02, 1.49809e+02), forces1[552], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.63438e+01, -6.24402e+01, -1.12122e+01), forces1[553], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.11429e+02, -4.56045e+01, -4.59567e+01), forces1[554], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.28516e+02, -4.47595e+00, 1.81453e+02), forces1[555], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.33297e+02, 1.44805e+02, -4.27640e+01), forces1[556], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.16740e+02, -7.65847e+00, 7.66024e+01), forces1[557], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.77942e+02, -1.45939e+02, 8.07326e+01), forces1[558], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.68632e+02, 2.69537e+02, 1.22007e+02), forces1[559], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.12709e+02, 6.01408e+01, 1.54041e+02), forces1[560], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.27652e+02, -5.25610e+01, -9.60596e+01), forces1[561], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.14047e+02, -2.01466e+01, -4.96293e+01), forces1[562], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.09791e+02, 4.12161e+01, 1.83442e+02), forces1[563], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.49134e+02, -4.62596e+00, 2.20999e+01), forces1[564], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.30637e+02, -3.75250e+01, 4.14259e+01), forces1[565], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.75025e+02, 3.85962e+01, 5.80226e+01), forces1[566], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.98389e+00, -1.23933e+02, 1.30628e+02), forces1[567], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.05449e+01, -1.14065e+02, 9.70791e+01), forces1[568], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.60462e+01, -9.53328e+01, 9.89856e+01), forces1[569], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.13288e+01, -1.44056e+01, 1.39952e+02), forces1[570], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.42917e+01, 1.66166e+01, 1.91947e+02), forces1[571], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.13590e+02, -1.55874e+02, -1.13269e+02), forces1[572], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.42809e+02, 3.88945e+02, 1.47303e+02), forces1[573], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.29792e+02, -1.91594e+02, -4.64513e+01), forces1[574], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.06517e+02, -3.17549e+02, 9.06953e+00), forces1[575], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.35062e+02, -3.38933e+01, -9.66009e+01), forces1[576], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.67609e+02, 1.26402e+02, -4.97788e+01), forces1[577], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.05138e+00, 1.07362e+02, -1.02375e+02), forces1[578], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.22771e+02, -7.72250e+01, 1.66501e+02), forces1[579], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.95650e+01, 8.12102e+00, 1.03117e+02), forces1[580], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.75584e+02, 2.88991e+01, -1.17320e+02), forces1[581], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-6.91275e+01, 8.38319e+01, 4.97708e+01), forces1[582], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.51951e+02, 1.60368e+02, -2.06266e+02), forces1[583], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.31889e+01, -2.02781e+02, -8.72161e+01), forces1[584], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.92408e+02, -1.87100e+01, 2.05541e+02), forces1[585], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.73554e+02, -5.01580e+00, 2.66621e+02), forces1[586], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.59561e+02, 9.15584e+00, 1.28235e+02), forces1[587], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.11016e+01, 7.42097e+01, -4.28122e+01), forces1[588], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.03537e+02, 2.10837e+01, -1.33908e+02), forces1[589], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.16906e+01, -1.58535e+01, 4.67992e+01), forces1[590], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.44325e+02, -2.46328e+00, -1.81854e+01), forces1[591], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-5.30320e+01, 9.72891e+01, 2.06240e+01), forces1[592], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.36896e+01, 1.33852e+02, 5.19553e+01), forces1[593], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 9.50875e+00, -1.63962e+02, -7.41674e+01), forces1[594], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.07601e+02, -8.54691e+01, 3.11595e+01), forces1[595], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.65770e+02, -4.64405e+01, 8.34911e+01), forces1[596], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.44367e+01, -1.84108e+02, 1.39835e+02), forces1[597], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.24114e+02, 2.50886e+01, 2.54009e+01), forces1[598], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.16187e+02, -4.85179e+01, 1.32305e+02), forces1[599], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.37446e+01, -3.29674e+01, 1.16326e+02), forces1[600], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.68011e+01, -1.00073e+02, 8.04682e+01), forces1[601], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-4.83294e+01, -1.73859e+02, 1.36328e+01), forces1[602], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.83292e+01, 1.39303e+02, -1.01045e+02), forces1[603], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.07133e+01, 1.29633e+02, -1.90943e+02), forces1[604], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.55543e+02, 7.87557e+01, 9.29806e+01), forces1[605], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.64013e+02, -2.60759e+01, 1.75076e+02), forces1[606], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.33794e+02, -1.63774e+02, -6.37393e+01), forces1[607], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.54235e+02, 2.41512e+02, 1.60676e+02), forces1[608], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.17775e+02, 6.48107e+01, 3.84545e+01), forces1[609], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.04735e+01, 2.01260e+01, 2.39831e+01), forces1[610], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.38884e+02, 1.20777e+02, -5.46490e+01), forces1[611], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.07723e+02, 2.58444e+02, 1.48247e+02), forces1[612], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.01470e+02, -6.94941e+01, -2.70882e+02), forces1[613], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.21667e+01, -1.98769e+02, -1.54892e+02), forces1[614], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.80724e+02, 4.52486e+01, 1.40398e+02), forces1[615], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 3.86820e+02, -7.75719e+00, -1.08164e+01), forces1[616], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.42790e+02, 4.80985e+01, -6.18837e+00), forces1[617], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.76946e+02, -1.97796e+02, 2.44731e+01), forces1[618], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.47411e+02, 2.23512e+02, -4.11150e+01), forces1[619], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.04834e+01, 5.22527e+01, -2.27808e+01), forces1[620], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.52307e+02, 7.40937e+01, 1.12984e+02), forces1[621], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.32953e+01, -1.29608e+02, 1.32966e+02), forces1[622], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.23861e+01, -1.19511e+02, 1.00268e+02), forces1[623], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.50610e+01, -1.46388e+02, -7.77507e+01), forces1[624], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 8.62300e+01, -1.37666e+02, -1.20764e+02), forces1[625], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.47310e+01, -1.47118e+02, -5.18370e+01), forces1[626], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.62932e+01, 7.13690e+01, 1.43985e+02), forces1[627], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.96823e+01, -3.58054e+01, -1.45690e+02), forces1[628], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.18087e+00, 1.85480e+01, 9.50527e+01), forces1[629], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.74362e+00, 1.43052e+01, -4.25871e+01), forces1[630], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.97525e+02, -1.59562e+01, 1.90143e+01), forces1[631], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 2.57292e+01, -2.08667e+02, 2.11507e+01), forces1[632], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.01669e+01, -1.07214e+02, -2.53008e+01), forces1[633], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.18560e+02, 4.41674e+01, -1.78058e+02), forces1[634], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.93301e+00, 5.90508e+01, -3.94824e+01), forces1[635], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-7.81815e+01, 8.73784e+01, -6.35956e+01), forces1[636], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.52356e+01, 1.30136e+02, 1.52025e+01), forces1[637], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.66178e+02, -5.94385e+01, -1.04578e+02), forces1[638], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-1.19123e+02, -1.75069e+02, -2.04114e+00), forces1[639], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-3.92283e+01, 5.61702e+01, 1.27395e+02), forces1[640], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 4.74836e-01, -2.04058e+02, -4.01525e+01), forces1[641], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 6.92669e+01, 6.04519e+00, 4.03163e+01), forces1[642], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.08236e+01, 1.26554e+02, -8.63729e+01), forces1[643], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.88180e+02, -1.08833e+02, -1.18964e+02), forces1[644], 10*TOL);
ASSERT_EQUAL_VEC(Vec3(-2.76077e+01, -2.97113e+02, 5.08198e+02), forces1[645], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 1.84023e+02, 3.56521e+02, -2.17616e+02), forces1[646], 10*TOL);
ASSERT_EQUAL_VEC(Vec3( 7.81607e+01, 3.17356e+02, -1.40920e+02), forces1[647], 10*TOL);
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