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Commit ccea3969 authored by Mark Friedrichs's avatar Mark Friedrichs
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Added multipole test for box of 216 water molecules

parent 699fce6e
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plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaMultipoleForce.cpp
View file @ ccea3969
...@@ -1368,6 +1368,1469 @@ static void testMultipoleGridPotential( FILE* log ) { ...@@ -1368,6 +1368,1469 @@ static void testMultipoleGridPotential( FILE* log ) {
} }
// setup for box of 216 water molecules -- used to test PME
static void setupAndGetForcesEnergyMultipoleLargeWater( AmoebaMultipoleForce::AmoebaNonbondedMethod nonbondedMethod,
AmoebaMultipoleForce::AmoebaPolarizationType polarizationType,
double cutoff, int inputPmeGridDimension, std::vector<Vec3>& forces,
double& energy, FILE* log ){
// beginning of Multipole setup
System system;
// box dimensions
double boxDimension = 1.8643;
Vec3 a( boxDimension, 0.0, 0.0 );
Vec3 b( 0.0, boxDimension, 0.0 );
Vec3 c( 0.0, 0.0, boxDimension );
system.setDefaultPeriodicBoxVectors( a, b, c );
AmoebaMultipoleForce* amoebaMultipoleForce = new AmoebaMultipoleForce();;
int numberOfParticles = 648;
amoebaMultipoleForce->setNonbondedMethod( nonbondedMethod );
amoebaMultipoleForce->setPolarizationType( polarizationType );
amoebaMultipoleForce->setCutoffDistance( cutoff );
amoebaMultipoleForce->setMutualInducedTargetEpsilon( 1.0e-06 );
amoebaMultipoleForce->setMutualInducedMaxIterations( 500 );
amoebaMultipoleForce->setAEwald( 5.4459052e+00 );
amoebaMultipoleForce->setEwaldErrorTolerance( 1.0e-04 );
std::vector<int> pmeGridDimension( 3 );
pmeGridDimension[0] = pmeGridDimension[1] = pmeGridDimension[2] = inputPmeGridDimension;
amoebaMultipoleForce->setPmeGridDimensions( pmeGridDimension );
for( unsigned int jj = 0; jj < numberOfParticles; jj += 3 ){
system.addParticle( 1.5995000e+01 );
system.addParticle( 1.0080000e+00 );
system.addParticle( 1.0080000e+00 );
}
std::vector<double> oxygenMolecularDipole(3);
std::vector<double> oxygenMolecularQuadrupole(9);
oxygenMolecularDipole[0] = 0.0000000e+00;
oxygenMolecularDipole[1] = 0.0000000e+00;
oxygenMolecularDipole[2] = 7.5561214e-03;
oxygenMolecularQuadrupole[0] = 3.5403072e-04;
oxygenMolecularQuadrupole[1] = 0.0000000e+00;
oxygenMolecularQuadrupole[2] = 0.0000000e+00;
oxygenMolecularQuadrupole[3] = 0.0000000e+00;
oxygenMolecularQuadrupole[4] = -3.9025708e-04;
oxygenMolecularQuadrupole[5] = 0.0000000e+00;
oxygenMolecularQuadrupole[6] = 0.0000000e+00;
oxygenMolecularQuadrupole[7] = 0.0000000e+00;
oxygenMolecularQuadrupole[8] = 3.6226356e-05;
std::vector<double> hydrogenMolecularDipole(3);
std::vector<double> hydrogenMolecularQuadrupole(9);
hydrogenMolecularDipole[0] = -2.0420949e-03;
hydrogenMolecularDipole[1] = 0.0000000e+00;
hydrogenMolecularDipole[2] = -3.0787530e-03;
hydrogenMolecularQuadrupole[0] = -3.4284825e-05;
hydrogenMolecularQuadrupole[1] = 0.0000000e+00;
hydrogenMolecularQuadrupole[2] = -1.8948597e-06;
hydrogenMolecularQuadrupole[3] = 0.0000000e+00;
hydrogenMolecularQuadrupole[4] = -1.0024088e-04;
hydrogenMolecularQuadrupole[5] = 0.0000000e+00;
hydrogenMolecularQuadrupole[6] = -1.8948597e-06;
hydrogenMolecularQuadrupole[7] = 0.0000000e+00;
hydrogenMolecularQuadrupole[8] = 1.3452570e-04;
for( unsigned int jj = 0; jj < numberOfParticles; jj += 3 ){
amoebaMultipoleForce->addParticle( -5.1966000e-01, oxygenMolecularDipole, oxygenMolecularQuadrupole, 1, jj+1, jj+2, -1,
3.9000000e-01, 3.0698765e-01, 8.3700000e-04 );
amoebaMultipoleForce->addParticle( 2.5983000e-01, hydrogenMolecularDipole, hydrogenMolecularQuadrupole, 0, jj, jj+2, -1,
3.9000000e-01, 2.8135002e-01, 4.9600000e-04 );
amoebaMultipoleForce->addParticle( 2.5983000e-01, hydrogenMolecularDipole, hydrogenMolecularQuadrupole, 0, jj, jj+1, -1,
3.9000000e-01, 2.8135002e-01, 4.9600000e-04 );
}
// CovalentMaps
std::vector< int > covalentMap;
for( unsigned int jj = 0; jj < numberOfParticles; jj += 3 ){
covalentMap.resize(0);
covalentMap.push_back( jj+1 );
covalentMap.push_back( jj+2 );
amoebaMultipoleForce->setCovalentMap( jj, static_cast<OpenMM::AmoebaMultipoleForce::CovalentType>(0), covalentMap );
covalentMap.resize(0);
covalentMap.push_back( jj );
covalentMap.push_back( jj+1 );
covalentMap.push_back( jj+2 );
amoebaMultipoleForce->setCovalentMap( jj, static_cast<OpenMM::AmoebaMultipoleForce::CovalentType>(4), covalentMap );
amoebaMultipoleForce->setCovalentMap( jj+1, static_cast<OpenMM::AmoebaMultipoleForce::CovalentType>(4), covalentMap );
amoebaMultipoleForce->setCovalentMap( jj+2, static_cast<OpenMM::AmoebaMultipoleForce::CovalentType>(4), covalentMap );
covalentMap.resize(0);
covalentMap.push_back( jj );
amoebaMultipoleForce->setCovalentMap( jj+1, static_cast<OpenMM::AmoebaMultipoleForce::CovalentType>(0), covalentMap );
amoebaMultipoleForce->setCovalentMap( jj+2, static_cast<OpenMM::AmoebaMultipoleForce::CovalentType>(0), covalentMap );
covalentMap.resize(0);
covalentMap.push_back( jj+2 );
amoebaMultipoleForce->setCovalentMap( jj+1, static_cast<OpenMM::AmoebaMultipoleForce::CovalentType>(1), covalentMap );
covalentMap.resize(0);
covalentMap.push_back( jj+1 );
amoebaMultipoleForce->setCovalentMap( jj+2, static_cast<OpenMM::AmoebaMultipoleForce::CovalentType>(1), covalentMap );
}
system.addForce(amoebaMultipoleForce);
// 1-2 bonds needed
AmoebaHarmonicBondForce* amoebaHarmonicBondForce = new AmoebaHarmonicBondForce();
// addBond: particle1, particle2, length, quadraticK
for( unsigned int jj = 0; jj < numberOfParticles; jj += 3 ){
amoebaHarmonicBondForce->addBond( jj, jj+1, 0.0000000e+00, 0.0000000e+00 );
amoebaHarmonicBondForce->addBond( jj, jj+2, 0.0000000e+00, 0.0000000e+00 );
}
amoebaHarmonicBondForce->setAmoebaGlobalHarmonicBondCubic( -2.5500000e+01 );
amoebaHarmonicBondForce->setAmoebaGlobalHarmonicBondQuartic( 3.7931250e+02 );
system.addForce(amoebaHarmonicBondForce);
std::vector<Vec3> positions(numberOfParticles);
positions[0] = Vec3( 8.0394300e-01, 5.8680350e-01, 4.9277700e-02 );
positions[1] = Vec3( 7.5814940e-01, 5.0226660e-01, 4.0375900e-02 );
positions[2] = Vec3( 8.2870560e-01, 6.0624400e-01, -3.9707400e-02 );
positions[3] = Vec3( 1.1484000e-02, -8.8765990e-01, 6.4458520e-01 );
positions[4] = Vec3( 9.5892500e-02, -8.4464940e-01, 6.4052470e-01 );
positions[5] = Vec3( 2.4723500e-02, -9.7944710e-01, 6.1378930e-01 );
positions[6] = Vec3( -6.5763670e-01, -2.5260000e-02, 8.1046320e-01 );
positions[7] = Vec3( -6.6454990e-01, 6.8992500e-02, 7.8963560e-01 );
positions[8] = Vec3( -6.6845370e-01, -4.0076000e-02, 9.1037470e-01 );
positions[9] = Vec3( 6.5831270e-01, 8.5501500e-02, -6.6685290e-01 );
positions[10] = Vec3( 6.2600580e-01, 8.8732600e-02, -5.7651320e-01 );
positions[11] = Vec3( 6.1694860e-01, 5.3229000e-03, -7.0543230e-01 );
positions[12] = Vec3( 5.4954790e-01, 6.4357640e-01, 1.8420070e-01 );
positions[13] = Vec3( 4.7740750e-01, 6.5609280e-01, 1.2079650e-01 );
positions[14] = Vec3( 6.2544340e-01, 6.3485600e-01, 1.2346110e-01 );
positions[15] = Vec3( -4.6646340e-01, -8.5021310e-01, -2.6526210e-01 );
positions[16] = Vec3( -4.5053590e-01, -8.3883300e-01, -3.6069710e-01 );
positions[17] = Vec3( -5.5653260e-01, -8.7510810e-01, -2.5955820e-01 );
positions[18] = Vec3( -7.7550740e-01, -4.6613180e-01, 4.9045930e-01 );
positions[19] = Vec3( -7.3577510e-01, -5.4400590e-01, 5.3107060e-01 );
positions[20] = Vec3( -7.0755520e-01, -4.1773140e-01, 4.4037930e-01 );
positions[21] = Vec3( -2.8190600e-02, 7.4872450e-01, -7.6855300e-01 );
positions[22] = Vec3( -7.9443300e-02, 7.4463600e-01, -6.8256160e-01 );
positions[23] = Vec3( 1.7033100e-02, 8.3813000e-01, -7.6365310e-01 );
positions[24] = Vec3( -3.7112750e-01, -2.2624390e-01, -1.9170030e-01 );
positions[25] = Vec3( -4.4236150e-01, -2.4258640e-01, -2.4723220e-01 );
positions[26] = Vec3( -4.0233380e-01, -2.2106530e-01, -9.7227800e-02 );
positions[27] = Vec3( -5.8120030e-01, -5.6157220e-01, 8.3549400e-02 );
positions[28] = Vec3( -6.6764500e-01, -5.7119710e-01, 1.2970660e-01 );
positions[29] = Vec3( -5.1434340e-01, -5.5317060e-01, 1.5597670e-01 );
positions[30] = Vec3( 8.5281410e-01, 4.9997870e-01, 3.4439320e-01 );
positions[31] = Vec3( 8.8661040e-01, 4.7595500e-01, 4.3409810e-01 );
positions[32] = Vec3( 7.6829200e-01, 4.5403270e-01, 3.3783460e-01 );
positions[33] = Vec3( 6.2913000e-03, 3.9622090e-01, -6.4448110e-01 );
positions[34] = Vec3( -6.4546800e-02, 4.4539620e-01, -6.0008300e-01 );
positions[35] = Vec3( 7.0262000e-03, 3.1229330e-01, -5.9892730e-01 );
positions[36] = Vec3( 1.6883500e-02, 6.5824910e-01, 6.0982750e-01 );
positions[37] = Vec3( 2.9114400e-02, 6.3714540e-01, 7.0403040e-01 );
positions[38] = Vec3( -3.9569500e-02, 5.9419720e-01, 5.6714930e-01 );
positions[39] = Vec3( 3.7393550e-01, 6.2909200e-01, 8.1318410e-01 );
positions[40] = Vec3( 4.1500630e-01, 6.1010560e-01, 9.0110400e-01 );
positions[41] = Vec3( 4.3953600e-01, 5.9208230e-01, 7.5268270e-01 );
positions[42] = Vec3( 3.2500410e-01, 4.5615770e-01, -2.5643980e-01 );
positions[43] = Vec3( 3.7432790e-01, 4.5313140e-01, -3.3754880e-01 );
positions[44] = Vec3( 2.6987370e-01, 5.3785040e-01, -2.4860760e-01 );
positions[45] = Vec3( 5.6184630e-01, 5.2015900e-01, 6.3763990e-01 );
positions[46] = Vec3( 5.6189080e-01, 5.6140190e-01, 5.5312940e-01 );
positions[47] = Vec3( 5.4901540e-01, 4.2688810e-01, 6.2109450e-01 );
positions[48] = Vec3( -8.7750980e-01, 6.9408570e-01, -6.1784650e-01 );
positions[49] = Vec3( -8.2179580e-01, 7.3187880e-01, -5.4705510e-01 );
positions[50] = Vec3( -9.0362240e-01, 7.7367480e-01, -6.6488210e-01 );
positions[51] = Vec3( -6.9406820e-01, 2.2491740e-01, 7.1940890e-01 );
positions[52] = Vec3( -7.3674620e-01, 2.2091000e-01, 6.3486690e-01 );
positions[53] = Vec3( -7.4149900e-01, 2.8970280e-01, 7.7200060e-01 );
positions[54] = Vec3( 4.8285280e-01, -1.8445100e-02, 3.1521130e-01 );
positions[55] = Vec3( 5.5574910e-01, 2.4338500e-02, 2.7236750e-01 );
positions[56] = Vec3( 4.1347360e-01, 5.0063500e-02, 3.2371450e-01 );
positions[57] = Vec3( -2.2024800e-01, -3.1071870e-01, 9.1706370e-01 );
positions[58] = Vec3( -2.3195790e-01, -4.0722320e-01, 9.2465160e-01 );
positions[59] = Vec3( -2.8015290e-01, -2.9349640e-01, 8.4209880e-01 );
positions[60] = Vec3( 1.6893780e-01, 6.6734280e-01, -2.4352040e-01 );
positions[61] = Vec3( 1.9716270e-01, 7.5186390e-01, -2.0536790e-01 );
positions[62] = Vec3( 8.7430700e-02, 6.4225300e-01, -1.9539020e-01 );
positions[63] = Vec3( -9.0804840e-01, -6.2437310e-01, -8.8188300e-02 );
positions[64] = Vec3( -8.6732940e-01, -7.0428590e-01, -4.8030200e-02 );
positions[65] = Vec3( -8.3644480e-01, -5.8139450e-01, -1.3828190e-01 );
positions[66] = Vec3( -8.6567760e-01, -8.6537570e-01, 5.6295900e-02 );
positions[67] = Vec3( -8.1778220e-01, -9.4654890e-01, 8.4163600e-02 );
positions[68] = Vec3( -9.4534460e-01, -8.6858770e-01, 1.0560810e-01 );
positions[69] = Vec3( -5.7716930e-01, -2.6316670e-01, -4.5880740e-01 );
positions[70] = Vec3( -5.4569620e-01, -3.1693230e-01, -5.2720970e-01 );
positions[71] = Vec3( -5.5496000e-01, -1.7071220e-01, -4.7392400e-01 );
positions[72] = Vec3( 7.2367810e-01, -8.4678300e-01, -6.9502250e-01 );
positions[73] = Vec3( 7.9899670e-01, -8.9648580e-01, -7.2759260e-01 );
positions[74] = Vec3( 7.5075030e-01, -8.1725850e-01, -6.0600380e-01 );
positions[75] = Vec3( -2.3769060e-01, -6.2523350e-01, 1.2921080e-01 );
positions[76] = Vec3( -1.8309420e-01, -6.2163180e-01, 4.8693900e-02 );
positions[77] = Vec3( -2.3929030e-01, -5.3708810e-01, 1.6453540e-01 );
positions[78] = Vec3( 8.3347800e-02, -5.0189060e-01, 5.4317800e-01 );
positions[79] = Vec3( 1.0917180e-01, -5.7641330e-01, 4.8632230e-01 );
positions[80] = Vec3( 1.4837200e-02, -5.5084220e-01, 5.9546910e-01 );
positions[81] = Vec3( 7.4250070e-01, -2.7418580e-01, 8.3795900e-02 );
positions[82] = Vec3( 6.8666720e-01, -2.4554090e-01, 1.6206940e-01 );
positions[83] = Vec3( 7.1516850e-01, -3.6419530e-01, 7.2493400e-02 );
positions[84] = Vec3( -2.5059100e-02, 8.6314620e-01, 2.2861410e-01 );
positions[85] = Vec3( 9.6445000e-03, 9.0720400e-01, 1.4964290e-01 );
positions[86] = Vec3( 4.5097900e-02, 8.7155360e-01, 2.9051950e-01 );
positions[87] = Vec3( 4.7779490e-01, 9.0242640e-01, 8.2515620e-01 );
positions[88] = Vec3( 4.3957480e-01, 8.0786830e-01, 8.2489220e-01 );
positions[89] = Vec3( 4.6833310e-01, 9.2867710e-01, 9.1788160e-01 );
positions[90] = Vec3( 8.2204140e-01, 9.0145630e-01, -2.5081510e-01 );
positions[91] = Vec3( 8.5191840e-01, 8.1397830e-01, -2.2168590e-01 );
positions[92] = Vec3( 7.6397810e-01, 9.2011290e-01, -1.8137750e-01 );
positions[93] = Vec3( -7.9443650e-01, 1.7601300e-01, 4.6436790e-01 );
positions[94] = Vec3( -7.9212150e-01, 2.3533020e-01, 3.8657500e-01 );
positions[95] = Vec3( -8.7057070e-01, 1.1288830e-01, 4.4595260e-01 );
positions[96] = Vec3( 3.2425690e-01, 3.8214720e-01, -8.2471120e-01 );
positions[97] = Vec3( 2.8321830e-01, 4.2912450e-01, -7.4875880e-01 );
positions[98] = Vec3( 2.7681870e-01, 2.9837230e-01, -8.2620080e-01 );
positions[99] = Vec3( 7.5575820e-01, -8.9620900e-01, 2.3680670e-01 );
positions[100] = Vec3( 6.6600420e-01, -8.7027760e-01, 2.7104280e-01 );
positions[101] = Vec3( 8.1544110e-01, -9.1190240e-01, 3.1149610e-01 );
positions[102] = Vec3( -8.4248740e-01, 3.5007110e-01, -4.4389740e-01 );
positions[103] = Vec3( -7.5693800e-01, 3.9510690e-01, -4.4710480e-01 );
positions[104] = Vec3( -8.6984880e-01, 3.5457480e-01, -5.3702920e-01 );
positions[105] = Vec3( 3.8837250e-01, -4.8496240e-01, 6.5322550e-01 );
positions[106] = Vec3( 4.1237110e-01, -4.0401080e-01, 7.0255980e-01 );
positions[107] = Vec3( 3.0065040e-01, -4.6399160e-01, 6.0513040e-01 );
positions[108] = Vec3( 6.2063930e-01, -5.0831230e-01, 4.9540430e-01 );
positions[109] = Vec3( 6.8959700e-01, -5.3506820e-01, 5.6328860e-01 );
positions[110] = Vec3( 5.3663630e-01, -5.1121830e-01, 5.4640900e-01 );
positions[111] = Vec3( 7.0354670e-01, -5.1748580e-01, -7.3878700e-02 );
positions[112] = Vec3( 7.8529450e-01, -5.6535940e-01, -9.5943500e-02 );
positions[113] = Vec3( 6.7807440e-01, -4.7921810e-01, -1.6187590e-01 );
positions[114] = Vec3( -4.4116790e-01, -4.7749880e-01, 3.0876830e-01 );
positions[115] = Vec3( -5.0645290e-01, -4.1075220e-01, 3.1159470e-01 );
positions[116] = Vec3( -4.6594720e-01, -5.2568230e-01, 3.8755370e-01 );
positions[117] = Vec3( -9.1937480e-01, -5.8400000e-05, -2.5359570e-01 );
positions[118] = Vec3( -8.5894750e-01, -7.0402500e-02, -2.2230370e-01 );
positions[119] = Vec3( -8.7441760e-01, 8.3170500e-02, -2.3447490e-01 );
positions[120] = Vec3( 5.0867290e-01, 2.3568780e-01, 5.5935510e-01 );
positions[121] = Vec3( 4.1446460e-01, 2.6088930e-01, 5.8683440e-01 );
positions[122] = Vec3( 5.1853820e-01, 1.4937830e-01, 5.8561390e-01 );
positions[123] = Vec3( -4.6831090e-01, -6.1465890e-01, -1.6794620e-01 );
positions[124] = Vec3( -4.8688540e-01, -5.9611250e-01, -7.4636500e-02 );
positions[125] = Vec3( -4.9162010e-01, -7.0497770e-01, -1.8127910e-01 );
positions[126] = Vec3( -3.1791800e-01, -5.4450000e-03, -3.6397680e-01 );
positions[127] = Vec3( -2.2253910e-01, -2.4457600e-02, -3.5240990e-01 );
positions[128] = Vec3( -3.6044390e-01, -3.5065000e-02, -2.8414310e-01 );
positions[129] = Vec3( 1.0461140e-01, 2.6758700e-01, -2.2684050e-01 );
positions[130] = Vec3( 1.8426490e-01, 3.2453330e-01, -2.3574350e-01 );
positions[131] = Vec3( 1.0569370e-01, 2.3628020e-01, -1.3834830e-01 );
positions[132] = Vec3( -1.4119340e-01, 4.1653970e-01, -2.7320250e-01 );
positions[133] = Vec3( -5.2065100e-02, 3.6979030e-01, -2.6662970e-01 );
positions[134] = Vec3( -1.3834110e-01, 4.7690560e-01, -1.9435870e-01 );
positions[135] = Vec3( -7.6602450e-01, -2.1216400e-01, -1.9516640e-01 );
positions[136] = Vec3( -8.0191290e-01, -2.8391260e-01, -1.3557910e-01 );
positions[137] = Vec3( -7.4415500e-01, -2.6044280e-01, -2.8169590e-01 );
positions[138] = Vec3( -1.3600310e-01, 1.9674000e-01, 2.0349610e-01 );
positions[139] = Vec3( -1.6201050e-01, 2.8693750e-01, 2.3123820e-01 );
positions[140] = Vec3( -2.1785650e-01, 1.4514420e-01, 1.9201990e-01 );
positions[141] = Vec3( 6.2897820e-01, -4.2302590e-01, -7.6557210e-01 );
positions[142] = Vec3( 6.2334100e-01, -4.4471660e-01, -6.7174140e-01 );
positions[143] = Vec3( 6.3346670e-01, -5.0696850e-01, -8.0495300e-01 );
positions[144] = Vec3( 9.1588260e-01, -3.9845200e-02, 3.5189180e-01 );
positions[145] = Vec3( 9.8891550e-01, -4.4673900e-02, 2.9156120e-01 );
positions[146] = Vec3( 8.4126090e-01, -2.2841000e-03, 2.9707980e-01 );
positions[147] = Vec3( 4.8470900e-01, -8.2561400e-02, 6.0082980e-01 );
positions[148] = Vec3( 3.9021850e-01, -6.2932500e-02, 6.0195610e-01 );
positions[149] = Vec3( 5.0563070e-01, -7.9866200e-02, 5.0777230e-01 );
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positions[567] = Vec3( -1.6560700e-02, -3.7062430e-01, -3.6569060e-01 );
positions[568] = Vec3( -9.0792700e-02, -4.1378610e-01, -3.2720710e-01 );
positions[569] = Vec3( 5.1374900e-02, -4.3774530e-01, -3.4403280e-01 );
positions[570] = Vec3( -5.9512760e-01, 1.7073000e-02, -2.2772060e-01 );
positions[571] = Vec3( -5.8225940e-01, 7.1421900e-02, -3.0604790e-01 );
positions[572] = Vec3( -6.2819960e-01, -6.3276600e-02, -2.6202260e-01 );
positions[573] = Vec3( -4.7641750e-01, -4.2323550e-01, 8.9604240e-01 );
positions[574] = Vec3( -5.4796980e-01, -4.1341290e-01, 8.3129580e-01 );
positions[575] = Vec3( -4.6422920e-01, -5.2061790e-01, 8.9834640e-01 );
positions[576] = Vec3( 1.4489300e-02, -8.9340740e-01, -3.4831200e-02 );
positions[577] = Vec3( -6.9252500e-02, -9.1064710e-01, -8.0576000e-02 );
positions[578] = Vec3( 8.8146500e-02, -9.1521790e-01, -9.6184600e-02 );
positions[579] = Vec3( -6.0237270e-01, 6.8170090e-01, 6.7672100e-02 );
positions[580] = Vec3( -6.3353490e-01, 6.5944010e-01, -1.4737000e-02 );
positions[581] = Vec3( -6.7945440e-01, 7.0260310e-01, 1.2553510e-01 );
positions[582] = Vec3( -7.9759390e-01, -4.8566970e-01, -8.8075620e-01 );
positions[583] = Vec3( -7.6587590e-01, -4.4277470e-01, -9.5861500e-01 );
positions[584] = Vec3( -8.8262650e-01, -4.4354590e-01, -8.6497650e-01 );
positions[585] = Vec3( 6.0913180e-01, 7.5063640e-01, -3.7944500e-01 );
positions[586] = Vec3( 6.8958950e-01, 8.0236210e-01, -3.5044320e-01 );
positions[587] = Vec3( 5.5351750e-01, 7.5362410e-01, -2.9669720e-01 );
positions[588] = Vec3( 7.4485800e-01, 5.3041050e-01, -4.4708420e-01 );
positions[589] = Vec3( 7.0182180e-01, 6.1806940e-01, -4.3652910e-01 );
positions[590] = Vec3( 8.0156580e-01, 5.2857300e-01, -5.2411300e-01 );
positions[591] = Vec3( -6.9004280e-01, -5.9012070e-01, -2.9270410e-01 );
positions[592] = Vec3( -7.1539690e-01, -6.8384200e-01, -2.8572180e-01 );
positions[593] = Vec3( -5.9319910e-01, -5.8219810e-01, -2.7391860e-01 );
positions[594] = Vec3( -2.0769030e-01, -9.0263320e-01, 8.2559380e-01 );
positions[595] = Vec3( -1.2326710e-01, -9.0347650e-01, 7.7889800e-01 );
positions[596] = Vec3( -2.4674410e-01, -8.1114260e-01, 8.1400270e-01 );
positions[597] = Vec3( -5.9770390e-01, -2.5353030e-01, 3.7815410e-01 );
positions[598] = Vec3( -5.7799760e-01, -1.8503970e-01, 4.3781640e-01 );
positions[599] = Vec3( -6.3056510e-01, -1.9169960e-01, 3.0646360e-01 );
positions[600] = Vec3( 2.5756560e-01, -9.0983610e-01, -2.2681580e-01 );
positions[601] = Vec3( 3.3909840e-01, -9.6122750e-01, -2.1952540e-01 );
positions[602] = Vec3( 2.5286730e-01, -8.8095350e-01, -3.1936560e-01 );
positions[603] = Vec3( -5.7980030e-01, 4.5624440e-01, -4.8053250e-01 );
positions[604] = Vec3( -5.0283550e-01, 4.0235700e-01, -4.7629430e-01 );
positions[605] = Vec3( -5.5234760e-01, 5.5030960e-01, -4.6445780e-01 );
positions[606] = Vec3( 2.6417710e-01, 3.6149920e-01, 5.5726940e-01 );
positions[607] = Vec3( 1.8510390e-01, 3.4649300e-01, 6.1450570e-01 );
positions[608] = Vec3( 2.5328370e-01, 4.4988030e-01, 5.1753010e-01 );
positions[609] = Vec3( 8.0108540e-01, -7.3935090e-01, -4.6186460e-01 );
positions[610] = Vec3( 8.1693510e-01, -7.9012220e-01, -3.8198140e-01 );
positions[611] = Vec3( 8.8304810e-01, -6.9238110e-01, -4.8097940e-01 );
positions[612] = Vec3( -5.8628640e-01, 1.5133800e-02, -5.2805090e-01 );
positions[613] = Vec3( -5.0874980e-01, 5.8718200e-02, -5.5884230e-01 );
positions[614] = Vec3( -6.4503990e-01, 1.9133400e-02, -6.0165090e-01 );
positions[615] = Vec3( 7.6453220e-01, -5.9994620e-01, 2.8797170e-01 );
positions[616] = Vec3( 7.0859250e-01, -5.4012040e-01, 3.3515640e-01 );
positions[617] = Vec3( 7.9449730e-01, -6.7260900e-01, 3.4844210e-01 );
positions[618] = Vec3( -4.1271350e-01, 6.8162960e-01, -6.2517570e-01 );
positions[619] = Vec3( -3.4841290e-01, 6.1054470e-01, -6.4194430e-01 );
positions[620] = Vec3( -3.5808100e-01, 7.5958210e-01, -6.0333290e-01 );
positions[621] = Vec3( -2.3867290e-01, 5.9441400e-02, 9.1386800e-01 );
positions[622] = Vec3( -2.9103650e-01, -1.4337800e-02, 9.5259360e-01 );
positions[623] = Vec3( -2.8602000e-01, 1.0405050e-01, 8.3648420e-01 );
positions[624] = Vec3( 6.2908620e-01, -6.6369160e-01, -8.8313160e-01 );
positions[625] = Vec3( 5.3309000e-01, -6.6824080e-01, -8.8386380e-01 );
positions[626] = Vec3( 6.6687380e-01, -7.2037270e-01, -8.1674370e-01 );
positions[627] = Vec3( 2.5101170e-01, -8.8838680e-01, 2.2900940e-01 );
positions[628] = Vec3( 2.4302200e-01, -8.1686710e-01, 1.6969450e-01 );
positions[629] = Vec3( 3.4457660e-01, -8.9596990e-01, 2.4839760e-01 );
positions[630] = Vec3( -9.1418940e-01, 8.0389630e-01, 7.8826000e-01 );
positions[631] = Vec3( -8.3833600e-01, 7.4209380e-01, 7.8290720e-01 );
positions[632] = Vec3( -9.9161100e-01, 7.5608500e-01, 8.2971860e-01 );
positions[633] = Vec3( 7.9708930e-01, -3.2882190e-01, 7.1789600e-01 );
positions[634] = Vec3( 8.5609970e-01, -2.5716920e-01, 7.4938090e-01 );
positions[635] = Vec3( 7.9853320e-01, -3.2248890e-01, 6.2155040e-01 );
positions[636] = Vec3( 7.9743030e-01, -6.0061740e-01, 7.6822330e-01 );
positions[637] = Vec3( 8.2105340e-01, -5.0895770e-01, 7.5902860e-01 );
positions[638] = Vec3( 7.2970170e-01, -6.0508550e-01, 8.3860140e-01 );
positions[639] = Vec3( -1.1738970e-01, -5.9305270e-01, 7.0381050e-01 );
positions[640] = Vec3( -1.5290840e-01, -6.5518590e-01, 6.3431800e-01 );
positions[641] = Vec3( -1.6038250e-01, -5.0776740e-01, 6.8496070e-01 );
positions[642] = Vec3( 5.8567050e-01, 3.6131160e-01, 3.0656670e-01 );
positions[643] = Vec3( 5.1450330e-01, 4.2381370e-01, 2.6162660e-01 );
positions[644] = Vec3( 5.3597340e-01, 3.2574600e-01, 3.8272470e-01 );
positions[645] = Vec3( -7.5114680e-01, 3.5944460e-01, 2.4369600e-01 );
positions[646] = Vec3( -8.1938720e-01, 4.1907000e-01, 2.7265900e-01 );
positions[647] = Vec3( -7.8315770e-01, 3.2541650e-01, 1.6165560e-01 );
std::string platformName;
platformName = "Cuda";
LangevinIntegrator integrator(0.0, 0.1, 0.01);
Context context(system, integrator, Platform::getPlatformByName( platformName ) );
context.setPositions(positions);
State state = context.getState(State::Forces | State::Energy);
forces = state.getForces();
energy = state.getPotentialEnergy();
}
// test multipole mutual polarization using PME for box of water
static void testPMEMutualPolarizationLargeWater( FILE* log ) {
std::string testName = "testPMEMutualPolarizationLargeWater";
int numberOfParticles = 648;
int inputPmeGridDimension = 24;
double cutoff = 0.70;
std::vector<Vec3> forces;
double energy;
setupAndGetForcesEnergyMultipoleLargeWater( AmoebaMultipoleForce::PME, AmoebaMultipoleForce::Mutual,
cutoff, inputPmeGridDimension, forces, energy, log );
std::vector<Vec3> expectedForces(numberOfParticles);
double expectedEnergy = -1.3268930e+04;
expectedForces[0] = Vec3( -5.2764003e+02, 6.5154502e+02, 7.8683284e+02 );
expectedForces[1] = Vec3( 3.3391292e+02, -1.1162521e+03, -2.9173021e+02 );
expectedForces[2] = Vec3( 9.4613310e+01, -5.8988099e+01, -6.2871010e+02 );
expectedForces[3] = Vec3( -1.6179658e+03, 1.8222798e+02, -1.0373083e+02 );
expectedForces[4] = Vec3( 1.0177962e+03, 1.7118957e+02, 4.0084976e+02 );
expectedForces[5] = Vec3( 3.0582540e+02, -5.5215191e+02, 4.8287747e+01 );
expectedForces[6] = Vec3( -5.4931641e+01, -6.7689368e+02, -1.2260977e+03 );
expectedForces[7] = Vec3( -2.9961754e+02, 1.3602079e+03, -2.2087612e+02 );
expectedForces[8] = Vec3( -3.1788045e+02, -1.3540025e+02, 1.1250958e+03 );
expectedForces[9] = Vec3( 1.0275111e+03, 1.9279625e+02, -6.0872252e+02 );
expectedForces[10] = Vec3( -5.7512410e+02, -5.6280482e+01, 7.5039261e+02 );
expectedForces[11] = Vec3( -4.7291981e+02, -3.5875411e+01, 5.2335135e+00 );
expectedForces[12] = Vec3( -1.5619899e+02, -1.3743370e+02, 1.3587339e+03 );
expectedForces[13] = Vec3( -4.7423876e+02, 1.0032873e+02, -2.0875847e+02 );
expectedForces[14] = Vec3( 7.5621178e+02, 3.7979419e+01, -4.1221012e+02 );
expectedForces[15] = Vec3( 6.7318876e+02, 4.9937148e+02, 1.1665351e+03 );
expectedForces[16] = Vec3( -7.0858091e+01, 8.4758233e+01, -1.3126942e+03 );
expectedForces[17] = Vec3( -1.0636296e+03, -1.6254851e+02, -1.0982809e+02 );
expectedForces[18] = Vec3( -1.0249489e+03, 6.7073895e+02, -2.0754278e+02 );
expectedForces[19] = Vec3( 5.6396078e+02, -1.1702137e+03, 1.5324295e+02 );
expectedForces[20] = Vec3( 6.1635144e+02, 5.6122242e+02, -7.9410893e+01 );
expectedForces[21] = Vec3( -1.5785582e+02, -1.0857764e+03, -1.1010131e+03 );
expectedForces[22] = Vec3( 2.3733181e+01, 2.0158373e+02, 3.2583783e+02 );
expectedForces[23] = Vec3( 1.8855396e+02, 1.2408889e+03, 4.5759149e+02 );
expectedForces[24] = Vec3( 9.3643408e+02, -6.1331107e+01, -3.8601431e+02 );
expectedForces[25] = Vec3( -3.1972504e+02, -1.5783340e+02, -1.3838003e+02 );
expectedForces[26] = Vec3( -5.1178039e+02, -2.5998898e+02, 6.1021975e+02 );
expectedForces[27] = Vec3( 9.1836250e+02, -4.3288112e+02, -9.5579501e+02 );
expectedForces[28] = Vec3( -9.3325184e+02, 6.2859013e+01, 5.0743198e+02 );
expectedForces[29] = Vec3( 3.1839963e+02, 5.4102155e+02, 1.1261345e+03 );
expectedForces[30] = Vec3( 7.3842640e+02, 1.0907054e+02, -2.1126612e+02 );
expectedForces[31] = Vec3( -1.8470175e+02, -4.0377182e+01, 1.2464073e+02 );
expectedForces[32] = Vec3( -5.8931386e+02, -3.5021489e+02, -7.2769901e+01 );
expectedForces[33] = Vec3( 1.4804452e+02, -1.2138869e+02, -1.2423820e+03 );
expectedForces[34] = Vec3( -2.4850935e+02, 2.3113218e+01, 1.4041979e+02 );
expectedForces[35] = Vec3( 1.3188525e+02, -6.1243481e+02, 6.4886373e+02 );
expectedForces[36] = Vec3( 5.0217683e+02, 9.2857480e+02, -7.2500648e+02 );
expectedForces[37] = Vec3( 9.9446320e+01, -3.0337270e+02, 8.0439741e+02 );
expectedForces[38] = Vec3( -1.7167491e+02, -9.3911948e+02, 5.6412500e+01 );
expectedForces[39] = Vec3( -6.6143649e+02, 1.0876882e+03, 3.3801466e+02 );
expectedForces[40] = Vec3( 5.6748150e+02, -2.2459572e+02, 3.8360728e+02 );
expectedForces[41] = Vec3( 7.7688834e+02, -6.7341171e+02, -6.4292796e+02 );
expectedForces[42] = Vec3( 1.0253263e+02, -1.3212797e+03, 9.3279892e+02 );
expectedForces[43] = Vec3( 1.5424247e+02, -1.0197346e+01, -8.0230728e+02 );
expectedForces[44] = Vec3( -6.6499384e+02, 1.2534353e+03, -1.6748341e+02 );
expectedForces[45] = Vec3( -1.9282945e+02, 5.1764789e+02, 1.5108154e+03 );
expectedForces[46] = Vec3( -4.9204245e+02, 8.8664089e+02, -8.8381078e+02 );
expectedForces[47] = Vec3( 1.3207641e+01, -5.7765859e+02, -3.5921690e+02 );
expectedForces[48] = Vec3( 4.1691955e+02, -1.1292452e+03, -6.2339128e+02 );
expectedForces[49] = Vec3( 4.8613761e+02, 6.8325845e+02, 2.3424652e+02 );
expectedForces[50] = Vec3( 3.1827501e+01, 6.8442319e+02, -5.8685438e+02 );
expectedForces[51] = Vec3( 1.1834790e+03, -1.3418299e+03, 5.6280882e+02 );
expectedForces[52] = Vec3( -5.8629616e+02, -6.9100489e+01, -9.7784543e+02 );
expectedForces[53] = Vec3( -4.0294748e+02, 5.0669032e+02, 5.3893512e+02 );
expectedForces[54] = Vec3( 6.3555947e+01, -9.0345643e+02, 7.2235587e+02 );
expectedForces[55] = Vec3( 4.9353706e+02, 4.3952680e+02, -1.5413911e+02 );
expectedForces[56] = Vec3( -3.4663273e+02, 8.4708544e+02, -8.8983178e+01 );
expectedForces[57] = Vec3( 1.5746383e+03, 5.8209931e+02, 3.6645765e+02 );
expectedForces[58] = Vec3( -4.0076588e+02, -1.2311235e+02, -1.6226002e+02 );
expectedForces[59] = Vec3( -3.3837369e+02, -5.3890252e+02, -5.5997831e+02 );
expectedForces[60] = Vec3( 8.6512912e+02, -1.0775827e+03, -3.6920406e+02 );
expectedForces[61] = Vec3( 1.0588621e+01, 4.4531974e+02, 1.1838800e+02 );
expectedForces[62] = Vec3( -7.0505255e+02, 1.5737739e+02, 3.0134165e+02 );
expectedForces[63] = Vec3( -1.2833932e+03, 5.1206074e+02, -9.3423828e+01 );
expectedForces[64] = Vec3( 2.0863538e+02, -6.7108922e+02, 3.5777952e+02 );
expectedForces[65] = Vec3( 4.9710436e+02, -6.8550896e+01, -2.7502680e+02 );
expectedForces[66] = Vec3( 4.0388289e+02, 1.0051571e+03, -2.3823633e+02 );
expectedForces[67] = Vec3( -3.3895858e+02, -6.7577709e+02, 3.1521120e+02 );
expectedForces[68] = Vec3( -4.8763670e+02, -2.9427128e+02, 2.9500438e+02 );
expectedForces[69] = Vec3( -8.4080783e+02, -1.7777886e+02, 6.5087880e+02 );
expectedForces[70] = Vec3( 2.1136356e+02, 6.6812142e+01, -5.5437438e+02 );
expectedForces[71] = Vec3( -1.3829189e+01, 7.0936421e+02, -5.0847380e+02 );
expectedForces[72] = Vec3( -1.5684247e+03, 1.6837339e+02, -4.6044105e+02 );
expectedForces[73] = Vec3( 9.9163605e+02, -4.1397181e+02, -3.9624142e+02 );
expectedForces[74] = Vec3( 6.7355000e+02, 5.7652252e+02, 1.0565003e+03 );
expectedForces[75] = Vec3( -1.3722105e+03, -1.4035644e+03, 2.7882380e+02 );
expectedForces[76] = Vec3( 5.2187588e+02, 3.9602986e+02, -2.2564009e+02 );
expectedForces[77] = Vec3( 2.6381283e+02, 4.2945748e+02, 1.8339201e+02 );
expectedForces[78] = Vec3( 5.3099327e+02, 1.7312849e+03, 3.5385638e+01 );
expectedForces[79] = Vec3( -2.1320977e+02, -1.1795453e+03, -5.1691859e+02 );
expectedForces[80] = Vec3( -7.1445218e+02, -5.8918750e+02, 7.6494816e+02 );
expectedForces[81] = Vec3( 1.0849545e+03, 6.5058603e+02, -5.6051049e+02 );
expectedForces[82] = Vec3( -4.6986151e+02, -3.3868080e+02, 7.9000645e+02 );
expectedForces[83] = Vec3( -3.8404718e+02, -4.4915037e+02, -4.2069600e+02 );
expectedForces[84] = Vec3( -3.0678477e+02, -7.2558567e+02, 2.0276275e+02 );
expectedForces[85] = Vec3( 6.2969625e+01, 3.4257826e+02, -6.8348290e+02 );
expectedForces[86] = Vec3( 3.1042613e+02, 9.6563445e+01, -1.8788848e+02 );
expectedForces[87] = Vec3( 2.4427535e+01, 5.8460648e+02, -1.3720684e+03 );
expectedForces[88] = Vec3( -4.9904469e+02, -9.1309605e+02, 1.4350031e+02 );
expectedForces[89] = Vec3( -4.0910847e+01, 5.2845046e+01, 2.7341591e+02 );
expectedForces[90] = Vec3( -4.5190765e+02, 2.2820859e+02, -1.1052181e+03 );
expectedForces[91] = Vec3( 9.1626336e+01, -1.0496400e+03, 1.0216011e+02 );
expectedForces[92] = Vec3( -1.2592678e+02, -4.4050520e+01, 1.0764584e+03 );
expectedForces[93] = Vec3( 8.4216135e+02, 1.7603150e+02, 1.3698861e+03 );
expectedForces[94] = Vec3( 1.2583734e+02, 3.4343971e+02, -7.3070182e+02 );
expectedForces[95] = Vec3( -4.5597370e+02, -6.8170738e+02, -5.2258658e+02 );
expectedForces[96] = Vec3( 1.3295639e+03, 2.5031118e+02, -3.5171095e+02 );
expectedForces[97] = Vec3( -2.0136001e+02, -2.2978012e+02, 2.1122610e+02 );
expectedForces[98] = Vec3( -1.1279722e+03, -9.9794730e+02, -1.1321006e+02 );
expectedForces[99] = Vec3( 2.9553179e+02, -2.0727600e+02, -1.8912317e+03 );
expectedForces[100] = Vec3( -9.3777487e+02, 4.3417972e+02, 5.7436670e+02 );
expectedForces[101] = Vec3( 3.1120364e+02, -4.3241206e+00, 5.6666340e+02 );
expectedForces[102] = Vec3( -6.6764840e+02, -2.3563274e+02, 9.9017992e+02 );
expectedForces[103] = Vec3( 8.2857598e+02, 1.9030059e+02, -2.4295780e+02 );
expectedForces[104] = Vec3( -2.6709334e+02, 7.3284851e+01, -3.9157038e+02 );
expectedForces[105] = Vec3( 6.6235629e+02, -8.4502811e+02, -5.3670716e+02 );
expectedForces[106] = Vec3( 3.8449086e+02, 8.0775263e+02, 5.2003911e+02 );
expectedForces[107] = Vec3( -3.4338589e+02, 1.7870086e+02, -6.1047615e+01 );
expectedForces[108] = Vec3( 4.3523975e+02, 2.8776092e+02, -1.5333067e+03 );
expectedForces[109] = Vec3( 1.9214022e+01, -9.9449061e+01, 3.9153169e+02 );
expectedForces[110] = Vec3( -7.7525496e+02, 7.7309387e+01, 7.8886699e+02 );
expectedForces[111] = Vec3( -1.1510224e+03, -2.8207337e+02, 1.4866455e+03 );
expectedForces[112] = Vec3( 1.1281316e+03, -3.0961130e+02, -1.3894255e+02 );
expectedForces[113] = Vec3( -2.4829062e+02, 5.9466066e+02, -9.0749265e+02 );
expectedForces[114] = Vec3( -1.6228531e+02, -4.1281378e+02, -1.4860946e+03 );
expectedForces[115] = Vec3( -2.9071192e+02, 7.5335271e+02, 6.5205720e+02 );
expectedForces[116] = Vec3( 3.2042337e+02, -4.0237231e+02, 1.0068554e+03 );
expectedForces[117] = Vec3( -1.4081272e+03, -5.5227579e+02, 2.8376428e+02 );
expectedForces[118] = Vec3( 9.6978276e+02, -9.6232683e+02, 2.3399918e+02 );
expectedForces[119] = Vec3( 2.0781312e+02, 9.0531947e+01, 8.3513783e+01 );
expectedForces[120] = Vec3( 2.9200105e+02, 1.0746865e+03, -6.0773727e+02 );
expectedForces[121] = Vec3( -8.7546167e+02, 3.1969683e+02, 8.1033199e+01 );
expectedForces[122] = Vec3( -5.3422658e+01, -3.8456585e+02, 1.4595003e+02 );
expectedForces[123] = Vec3( -9.5134908e+01, 8.6818098e+02, -1.3111403e+03 );
expectedForces[124] = Vec3( -7.2576830e+02, 6.3811172e+01, 7.0993488e+02 );
expectedForces[125] = Vec3( 5.6200572e+02, -1.0972338e+03, -3.5278717e+02 );
expectedForces[126] = Vec3( -1.6903718e+02, 2.6804112e+02, -8.9811032e+02 );
expectedForces[127] = Vec3( 7.0934165e+02, -3.2328700e+02, 1.0037562e+02 );
expectedForces[128] = Vec3( -2.5937738e+00, -3.3758145e+02, 3.6354335e+02 );
expectedForces[129] = Vec3( -1.1993601e+03, 1.1618922e+02, -1.1329865e+03 );
expectedForces[130] = Vec3( 8.3480845e+02, 5.2646427e+02, 9.1816763e+01 );
expectedForces[131] = Vec3( 1.9407174e+02, 7.3877492e+00, 8.8648162e+02 );
expectedForces[132] = Vec3( -1.0820540e+03, 2.7482390e+02, -1.4876848e+03 );
expectedForces[133] = Vec3( 9.5717027e+02, -4.7758356e+02, 4.0692835e+02 );
expectedForces[134] = Vec3( 2.4979896e+02, 7.1530552e+02, 6.5834243e+02 );
expectedForces[135] = Vec3( -2.7549874e+02, 1.6613806e+03, -5.0628865e+02 );
expectedForces[136] = Vec3( -1.5960544e+02, -4.5920421e+02, 9.4068762e+02 );
expectedForces[137] = Vec3( 6.9764295e+01, -4.4024430e+02, -2.3545402e+02 );
expectedForces[138] = Vec3( 2.0207569e+03, -2.6846158e+02, 3.3977998e+02 );
expectedForces[139] = Vec3( -9.9905342e+02, 9.5155462e+02, 8.3259854e+01 );
expectedForces[140] = Vec3( -8.0836255e+02, -6.3005196e+02, 1.2603525e+02 );
expectedForces[141] = Vec3( 5.2279913e+02, 1.5356061e+03, -1.4399009e+02 );
expectedForces[142] = Vec3( -1.3088783e+02, -9.0861449e+02, 9.7040422e+02 );
expectedForces[143] = Vec3( 2.8006682e+01, -1.1783245e+03, -3.7285390e+02 );
expectedForces[144] = Vec3( 6.1040927e+01, 2.1747286e+01, 9.0366011e+02 );
expectedForces[145] = Vec3( 7.0396235e+02, -2.3865001e+02, -6.8794682e+02 );
expectedForces[146] = Vec3( -5.1132933e+02, 7.7102556e+02, -4.7805042e+02 );
expectedForces[147] = Vec3( 6.2879945e+02, -6.9758821e+02, 1.0983043e+03 );
expectedForces[148] = Vec3( -9.2449123e+02, 5.0248042e+02, -2.0065211e+02 );
expectedForces[149] = Vec3( -3.9485154e+02, 3.4679511e+02, -7.3889603e+02 );
expectedForces[150] = Vec3( 4.9834751e+02, -1.0117501e+03, 1.2510946e+03 );
expectedForces[151] = Vec3( -1.4942699e+02, -7.4362790e+01, -6.8008427e+02 );
expectedForces[152] = Vec3( -1.8353666e+02, 5.1697483e+02, -8.4397292e+01 );
expectedForces[153] = Vec3( 7.0253008e+02, -1.5361338e+02, 8.6830836e+02 );
expectedForces[154] = Vec3( -4.1108898e+02, -6.8181350e+02, -5.6516951e+02 );
expectedForces[155] = Vec3( 3.9294374e+02, 3.7294948e+02, -4.9795080e+02 );
expectedForces[156] = Vec3( -7.3716758e+02, -5.5465931e+02, -9.3434525e+02 );
expectedForces[157] = Vec3( 1.8240105e+02, 1.5494359e+02, 1.3626243e+02 );
expectedForces[158] = Vec3( 9.3172059e+02, 1.4431275e+02, 6.6916065e+02 );
expectedForces[159] = Vec3( 7.3399513e+01, -3.6000187e+02, 1.9853052e+03 );
expectedForces[160] = Vec3( -2.4842520e+02, -4.0819514e+02, -8.0624794e+02 );
expectedForces[161] = Vec3( 4.3585911e+02, -2.6521764e+02, -6.7985842e+02 );
expectedForces[162] = Vec3( -8.2255783e+02, 1.1430906e+03, 1.2991183e+03 );
expectedForces[163] = Vec3( 5.6437196e+02, -1.5391213e+02, -5.0013503e+02 );
expectedForces[164] = Vec3( 3.8485296e+02, -1.1754088e+02, -1.4315511e+03 );
expectedForces[165] = Vec3( 9.8205241e+02, 1.3278205e+01, 3.0367584e+02 );
expectedForces[166] = Vec3( -3.2909916e+02, 4.5169387e+01, -3.2019488e+02 );
expectedForces[167] = Vec3( -4.2382795e+02, -8.1938351e+02, -1.5360675e+02 );
expectedForces[168] = Vec3( 9.1689997e+02, 1.4443113e+03, -1.8886795e+02 );
expectedForces[169] = Vec3( -1.2161000e+03, -2.3826187e+02, 3.4004889e+02 );
expectedForces[170] = Vec3( -2.2837927e+02, -9.8334152e+02, 3.0313790e+02 );
expectedForces[171] = Vec3( 5.2598040e+02, -1.2766936e+03, 8.1247934e+01 );
expectedForces[172] = Vec3( -6.7839687e+01, 6.9220160e+02, 3.1975320e+02 );
expectedForces[173] = Vec3( -4.8519844e+02, 4.3008979e+02, -7.6788762e+02 );
expectedForces[174] = Vec3( 3.9550092e+01, 1.0900122e+03, 5.0955281e+02 );
expectedForces[175] = Vec3( -6.3000735e+02, -7.2335263e+02, -2.2590661e+02 );
expectedForces[176] = Vec3( 1.5048762e+02, -4.0086126e+02, -1.2159849e+02 );
expectedForces[177] = Vec3( -7.1939527e+02, -1.0640815e+03, -3.1826393e+02 );
expectedForces[178] = Vec3( 7.7492135e+02, 1.0620129e+02, 3.6733165e+02 );
expectedForces[179] = Vec3( -3.5466457e+02, 7.0081887e+02, 2.2629152e+02 );
expectedForces[180] = Vec3( 3.0338275e+02, -1.1243396e+02, -1.3408996e+03 );
expectedForces[181] = Vec3( 9.0394088e+00, 4.8818819e+02, 7.3781403e+02 );
expectedForces[182] = Vec3( -5.6111982e+01, -2.5224925e+02, 3.0344460e+02 );
expectedForces[183] = Vec3( -7.4693225e+02, 1.1370727e+03, 9.3958175e+02 );
expectedForces[184] = Vec3( 3.1310327e+02, -1.2133761e+03, 2.6768166e+02 );
expectedForces[185] = Vec3( 6.0706899e+02, 9.8403362e+01, -5.0781782e+02 );
expectedForces[186] = Vec3( -6.2721609e+02, 1.7751567e+02, 2.6230643e+02 );
expectedForces[187] = Vec3( 3.5425475e+02, -3.3336896e+02, 2.9529930e+02 );
expectedForces[188] = Vec3( 4.7499029e+02, 4.5552354e+02, -2.4939310e+02 );
expectedForces[189] = Vec3( 1.1556321e+02, 2.5995186e+02, -8.4171376e+02 );
expectedForces[190] = Vec3( -4.5095184e+02, -1.6639362e+01, 4.2956175e+02 );
expectedForces[191] = Vec3( -7.5904218e+01, 3.9416063e+02, 4.2573815e+02 );
expectedForces[192] = Vec3( 2.3041013e+02, -1.2883920e+03, -5.1943189e+02 );
expectedForces[193] = Vec3( 8.6086944e+01, 1.8626094e+02, 3.7641641e+02 );
expectedForces[194] = Vec3( -5.9266805e+02, 4.4766229e+02, -4.5835497e+02 );
expectedForces[195] = Vec3( 3.9368476e+02, 1.1050329e+03, -1.3906133e+03 );
expectedForces[196] = Vec3( -1.2912212e+03, -2.9660534e+02, 3.9659215e+02 );
expectedForces[197] = Vec3( -2.4803663e+01, -2.7945607e+02, 3.5315630e+02 );
expectedForces[198] = Vec3( 1.4147479e+02, 3.2766723e+02, 1.1137899e+03 );
expectedForces[199] = Vec3( 7.8383167e+01, 2.2385715e+00, -1.0346820e+03 );
expectedForces[200] = Vec3( -2.9231551e+02, -5.4648720e+02, -6.5500265e+02 );
expectedForces[201] = Vec3( 1.3708284e+03, -1.0716376e+03, 4.5781190e+02 );
expectedForces[202] = Vec3( -7.5533654e+02, 6.5396686e+02, -4.2683276e+02 );
expectedForces[203] = Vec3( -6.5558825e+02, 3.1164131e+02, 2.6323555e+02 );
expectedForces[204] = Vec3( 1.3173432e+03, 1.3775889e+03, 1.2933072e+02 );
expectedForces[205] = Vec3( -4.0922505e+02, -7.5709333e+02, -3.4967434e+02 );
expectedForces[206] = Vec3( 4.2270572e+01, -7.4393359e+02, 5.2985443e+02 );
expectedForces[207] = Vec3( -1.5327880e+03, 7.3186706e+02, -2.3440058e+02 );
expectedForces[208] = Vec3( 1.4650210e+03, 2.8661572e+02, -2.4233049e+02 );
expectedForces[209] = Vec3( 8.4124688e+02, -3.4020518e+02, -3.1773592e+01 );
expectedForces[210] = Vec3( -1.1480436e+03, -7.4089732e+02, -4.8883682e+02 );
expectedForces[211] = Vec3( 3.5682075e+02, 2.1918110e+01, -1.2558000e+02 );
expectedForces[212] = Vec3( 1.6505256e+02, 7.9867933e+02, 9.9760760e+02 );
expectedForces[213] = Vec3( 1.2477725e+03, -8.8687803e+02, -8.2498529e+02 );
expectedForces[214] = Vec3( 1.7357042e+02, 2.0185456e+02, 8.0965301e+02 );
expectedForces[215] = Vec3( -9.0937500e+02, 5.5968713e+01, 1.7581913e+02 );
expectedForces[216] = Vec3( 1.3030711e+03, -8.2642443e+02, 1.6679926e+02 );
expectedForces[217] = Vec3( -8.4295510e+02, 2.0237547e+01, 4.0163431e+02 );
expectedForces[218] = Vec3( -3.2088719e+02, 3.0824476e+02, 9.9166532e+01 );
expectedForces[219] = Vec3( 1.4585495e+03, -4.1497503e+01, -2.2539636e+02 );
expectedForces[220] = Vec3( -2.6148433e+02, 1.7592075e+02, 2.0638296e+02 );
expectedForces[221] = Vec3( -9.2100962e+02, 2.6090225e+02, -8.4461867e+02 );
expectedForces[222] = Vec3( -9.0597287e+02, -4.8246138e+02, -1.8012972e+03 );
expectedForces[223] = Vec3( -1.1775667e+02, 1.7275816e+02, 1.1286513e+03 );
expectedForces[224] = Vec3( 1.0682239e+03, 8.0853797e+02, 2.5601774e+02 );
expectedForces[225] = Vec3( -1.6637330e+02, 7.6165466e+02, -5.9394315e+02 );
expectedForces[226] = Vec3( 2.6206832e+02, -1.5011747e+02, 5.4532792e+02 );
expectedForces[227] = Vec3( -2.6474701e+02, -1.4218144e+02, 1.1099125e+02 );
expectedForces[228] = Vec3( -9.7365994e+02, -5.5282012e+02, -6.3158992e+02 );
expectedForces[229] = Vec3( 1.1482718e+03, 1.4958662e+02, -5.6523355e+02 );
expectedForces[230] = Vec3( 4.4084982e+02, 7.9662251e+02, 4.9732039e+02 );
expectedForces[231] = Vec3( -4.8746806e+02, -1.5522005e+03, 1.0133483e+03 );
expectedForces[232] = Vec3( 1.1332903e+03, 1.2836176e+03, -2.0897082e+02 );
expectedForces[233] = Vec3( -7.9973372e+01, 6.3066961e+02, -5.8656505e+02 );
expectedForces[234] = Vec3( -8.3714021e+02, -1.5385924e+03, 1.0179672e+03 );
expectedForces[235] = Vec3( 3.5358323e+02, 9.3554369e+02, 1.6565605e+02 );
expectedForces[236] = Vec3( 1.7532341e+02, 3.0381323e+01, -1.2538424e+03 );
expectedForces[237] = Vec3( -1.0437301e+03, -4.4804918e+02, 1.5276435e+03 );
expectedForces[238] = Vec3( 8.5470872e+02, 1.0725550e+03, -9.7359443e+01 );
expectedForces[239] = Vec3( 1.8192015e+02, -7.6967211e+01, -8.6054596e+02 );
expectedForces[240] = Vec3( 1.5910180e+03, -7.9601605e+02, -8.4030326e+02 );
expectedForces[241] = Vec3( -6.4638370e+02, 4.0538540e+02, 2.3396878e+01 );
expectedForces[242] = Vec3( -5.2648918e+02, 1.3689201e+02, 9.3014716e+02 );
expectedForces[243] = Vec3( 2.2248997e+02, -6.3647370e+02, -8.3913128e+02 );
expectedForces[244] = Vec3( -7.5759832e+02, 4.7985429e+01, 5.8577833e+02 );
expectedForces[245] = Vec3( 1.2983550e+02, 4.4401985e+02, 2.3556259e+02 );
expectedForces[246] = Vec3( 7.8075637e+02, 9.9893821e+02, 7.3511307e+02 );
expectedForces[247] = Vec3( -8.6411159e+02, 2.3812628e+02, 1.9007971e+02 );
expectedForces[248] = Vec3( 2.0762263e+02, -7.0123789e+02, -4.8175733e+02 );
expectedForces[249] = Vec3( -8.2749187e+02, -7.8772346e+02, -9.8536337e+02 );
expectedForces[250] = Vec3( 8.3905893e+01, -2.8770518e+02, 6.0690561e+02 );
expectedForces[251] = Vec3( 7.2280803e+02, 4.9294103e+02, -1.2915033e+02 );
expectedForces[252] = Vec3( -1.3615809e+03, -1.8564754e+02, -4.2172817e+02 );
expectedForces[253] = Vec3( 9.2102155e+02, 5.4063967e+02, -2.7291760e+02 );
expectedForces[254] = Vec3( 7.0204283e+02, -3.0338605e+02, 6.6795953e+02 );
expectedForces[255] = Vec3( -7.2261285e+00, 3.2570478e+02, 5.9010590e+02 );
expectedForces[256] = Vec3( -8.3167819e+02, 3.0568475e+02, -9.9230441e+02 );
expectedForces[257] = Vec3( 2.1074297e+02, -4.0099946e+01, -1.2770634e+02 );
expectedForces[258] = Vec3( 1.1218559e+03, -8.8304672e+02, 1.0217945e+03 );
expectedForces[259] = Vec3( -4.4730264e+01, 5.3616918e+02, -3.2704110e+02 );
expectedForces[260] = Vec3( -1.1106141e+03, 3.3541536e+02, -1.0552986e+02 );
expectedForces[261] = Vec3( -9.3728497e+01, 4.7397796e+01, -1.1294332e+03 );
expectedForces[262] = Vec3( 5.1424956e+01, 4.0854995e+02, 5.6832607e+02 );
expectedForces[263] = Vec3( 1.4286074e+02, 2.9172921e+01, 5.1355833e+02 );
expectedForces[264] = Vec3( -4.4318133e+02, -9.5478293e+02, -1.8067439e+03 );
expectedForces[265] = Vec3( -2.8083245e+02, 8.1414586e+02, 6.6089404e+02 );
expectedForces[266] = Vec3( 1.0434876e+02, 3.0664078e+02, 1.3658532e+03 );
expectedForces[267] = Vec3( 1.2999089e+03, 5.6746563e+02, 1.2200612e+03 );
expectedForces[268] = Vec3( -5.9546942e+02, 3.6897149e+02, -8.3331437e+02 );
expectedForces[269] = Vec3( -1.1094881e+03, -5.1903335e+02, -3.5729033e+02 );
expectedForces[270] = Vec3( 4.1873464e+02, 6.9788983e+02, -1.3191929e+03 );
expectedForces[271] = Vec3( -1.0086080e+02, 3.3114447e+02, 6.3419860e+02 );
expectedForces[272] = Vec3( -2.8783906e+02, -8.8308011e+02, -5.4816768e+01 );
expectedForces[273] = Vec3( 1.0254638e+03, 2.8710026e+02, -1.9779676e+02 );
expectedForces[274] = Vec3( -3.5906548e+02, -5.5531449e+02, -6.0205492e+01 );
expectedForces[275] = Vec3( -3.9578349e+02, 5.9217272e+01, 1.0735648e+02 );
expectedForces[276] = Vec3( -8.7298871e+02, -1.5584711e+02, 9.2571354e+02 );
expectedForces[277] = Vec3( 4.1520558e+02, 5.6442126e+02, -1.8142289e+02 );
expectedForces[278] = Vec3( 6.5423421e+02, -4.1631573e+02, 1.0996479e+02 );
expectedForces[279] = Vec3( -8.0063899e+01, -1.2880940e+03, 2.9304469e+02 );
expectedForces[280] = Vec3( -9.5930841e+02, 5.8293485e+02, -1.1632205e+03 );
expectedForces[281] = Vec3( 6.3492338e+02, 2.5550931e+02, 1.7380517e+02 );
expectedForces[282] = Vec3( -1.9188175e+02, 1.0257290e+03, -8.6438702e+02 );
expectedForces[283] = Vec3( 4.0063530e+01, -5.1808902e+02, 4.9556015e+02 );
expectedForces[284] = Vec3( 5.8250018e+02, -2.5030700e+02, 1.1762860e+03 );
expectedForces[285] = Vec3( -4.3195459e+02, 7.4733530e+02, -1.3002210e+03 );
expectedForces[286] = Vec3( 2.7567334e+01, -5.1662654e+02, 3.3258050e+02 );
expectedForces[287] = Vec3( 6.1700857e+02, 3.0016354e+02, 9.5519139e+02 );
expectedForces[288] = Vec3( 7.7553094e+02, 8.6453551e+02, -1.0122996e+03 );
expectedForces[289] = Vec3( -2.6730796e+02, -7.7560875e+02, 4.3195620e+02 );
expectedForces[290] = Vec3( -8.5982146e+02, 1.6692057e+02, 4.3838169e+02 );
expectedForces[291] = Vec3( 1.2945126e+03, 6.3231748e+02, -8.3020592e+02 );
expectedForces[292] = Vec3( -6.9510729e+02, -3.1930013e+02, -1.3919425e+01 );
expectedForces[293] = Vec3( -4.1154200e+02, -3.3562358e+02, 6.3292682e+02 );
expectedForces[294] = Vec3( -4.0919783e+02, -3.8282298e+02, -4.9125465e+02 );
expectedForces[295] = Vec3( 6.3932145e+02, -1.8769713e+01, 9.9241332e+01 );
expectedForces[296] = Vec3( 8.6847663e+01, 8.7234739e+02, 2.7124112e+02 );
expectedForces[297] = Vec3( -1.0307576e+03, -6.2447562e+02, -1.5796976e+03 );
expectedForces[298] = Vec3( 6.2464595e+02, 1.0608165e+03, 3.1422521e+01 );
expectedForces[299] = Vec3( 3.7767184e+02, 4.1170186e+02, 1.0696495e+03 );
expectedForces[300] = Vec3( 1.0578030e+02, -1.9544726e+03, -4.6243957e+02 );
expectedForces[301] = Vec3( -3.1074896e+02, 8.6738333e+02, -2.0241448e+02 );
expectedForces[302] = Vec3( -2.7350519e+02, 6.9945273e+02, 7.8755130e+02 );
expectedForces[303] = Vec3( 7.8083070e+02, 6.5199614e+02, -6.6698950e+02 );
expectedForces[304] = Vec3( 1.3647451e+02, -4.2490411e+02, 1.3236061e+01 );
expectedForces[305] = Vec3( -1.1048984e+03, 3.7582184e+02, -6.4718844e+01 );
expectedForces[306] = Vec3( 1.5976050e+03, -8.9091819e+02, 9.7113419e+02 );
expectedForces[307] = Vec3( -4.5545384e+01, 8.8683300e+02, -6.5927739e+01 );
expectedForces[308] = Vec3( -1.3883497e+03, -4.6171498e+02, -2.9117829e+02 );
expectedForces[309] = Vec3( -6.6661140e+02, -8.1394964e+02, 1.2397900e+03 );
expectedForces[310] = Vec3( -2.5293546e+02, 1.8568554e+02, -6.8919479e+02 );
expectedForces[311] = Vec3( 5.2052057e+02, 1.0288555e+03, 3.1435700e+02 );
expectedForces[312] = Vec3( -2.4245555e+02, -1.1100993e+03, -1.6937710e+03 );
expectedForces[313] = Vec3( 1.6647470e+02, 9.5272347e+02, 9.2528380e+02 );
expectedForces[314] = Vec3( 8.6946518e+02, -1.6295251e+02, 5.7452409e+02 );
expectedForces[315] = Vec3( 1.4059831e+02, 5.6780959e+02, -4.6024149e+02 );
expectedForces[316] = Vec3( 2.3327811e+02, -2.2376697e+02, 1.3399582e+01 );
expectedForces[317] = Vec3( -2.6583612e+01, -4.5801841e+02, 2.9595361e+01 );
expectedForces[318] = Vec3( 1.2361796e+03, -1.9473934e+02, -2.6179421e+02 );
expectedForces[319] = Vec3( -4.2330105e+02, 5.0768290e+02, 6.8352494e+02 );
expectedForces[320] = Vec3( -2.0826312e+02, 1.4720747e+02, -9.8828425e-01 );
expectedForces[321] = Vec3( -7.3226106e+02, -1.5366771e+01, 2.7882968e+02 );
expectedForces[322] = Vec3( 4.2634684e+02, -6.2926647e+02, 3.6300784e+02 );
expectedForces[323] = Vec3( 1.7826269e+02, 1.0038378e+02, -4.2408556e+02 );
expectedForces[324] = Vec3( -1.1690005e+03, 2.1777241e+02, 9.1980300e+02 );
expectedForces[325] = Vec3( 5.6841370e+02, -2.6614377e+02, -6.4968364e+01 );
expectedForces[326] = Vec3( 3.5710749e+02, 1.3228373e+02, -3.6567433e+02 );
expectedForces[327] = Vec3( 8.1957745e+02, 7.3903486e+02, 3.9487193e+02 );
expectedForces[328] = Vec3( -8.5354740e+02, 8.9297958e+01, 9.0615539e+01 );
expectedForces[329] = Vec3( -2.3935807e+02, -2.2950021e+02, -4.6193868e+01 );
expectedForces[330] = Vec3( 8.6120406e+01, 1.4046499e+03, -1.5899345e+02 );
expectedForces[331] = Vec3( 4.6319634e+02, -4.6309406e+02, -2.2891416e+02 );
expectedForces[332] = Vec3( -4.2592255e+02, -2.6503000e+02, 6.1788141e+02 );
expectedForces[333] = Vec3( -2.4468457e+02, -7.7827760e+02, 4.2470013e+02 );
expectedForces[334] = Vec3( 2.6006448e+02, 7.6289112e+01, -4.3430411e+02 );
expectedForces[335] = Vec3( -2.5268926e+02, 7.7381529e+02, -5.0896414e+02 );
expectedForces[336] = Vec3( 1.0414844e+03, -6.1885512e+02, 1.4495539e+03 );
expectedForces[337] = Vec3( -5.9522011e+01, 1.3607073e+03, -7.3705640e+01 );
expectedForces[338] = Vec3( -5.9857094e+02, -2.7213045e+02, -9.7516268e+02 );
expectedForces[339] = Vec3( 9.2852178e+02, 3.0121600e+02, -7.4982031e+00 );
expectedForces[340] = Vec3( -1.0201472e+03, 1.6269359e+02, 1.9280960e+02 );
expectedForces[341] = Vec3( -1.8744984e+02, -4.9790658e+02, 4.2841303e+02 );
expectedForces[342] = Vec3( -1.0893114e+03, -4.6044565e+02, -2.0537532e+02 );
expectedForces[343] = Vec3( 5.1068148e+02, -3.0889884e+02, 1.7703226e+01 );
expectedForces[344] = Vec3( 2.0128423e+02, 5.0813056e+02, -5.0941772e+01 );
expectedForces[345] = Vec3( -6.0195519e+02, 1.1710803e+03, -5.8271481e+02 );
expectedForces[346] = Vec3( 1.3898239e+02, -3.2598252e+02, 1.0877023e+03 );
expectedForces[347] = Vec3( 3.1630812e+02, -8.9974673e+02, 9.6573268e+01 );
expectedForces[348] = Vec3( -5.5334313e+01, -1.1529065e+03, -2.1949997e+02 );
expectedForces[349] = Vec3( -4.4904784e+02, 2.4036076e+02, 4.1328142e+02 );
expectedForces[350] = Vec3( 1.0611611e+03, 4.1620143e+02, 9.1677657e+01 );
expectedForces[351] = Vec3( 1.3489840e+03, 9.9500659e+02, -4.5894902e+01 );
expectedForces[352] = Vec3( -9.8051252e+01, -9.0794586e+02, -8.9918421e+02 );
expectedForces[353] = Vec3( -3.5567408e+02, -7.2914902e+01, 4.7977644e+01 );
expectedForces[354] = Vec3( -1.5976501e+03, -1.2202674e+03, 7.2159213e+02 );
expectedForces[355] = Vec3( 1.7391266e+02, 1.0197773e+03, -9.1284547e+02 );
expectedForces[356] = Vec3( 7.8937287e+02, 1.1964969e+02, -3.8520683e+02 );
expectedForces[357] = Vec3( 2.8170878e+02, 1.0377979e+03, -5.0609230e+02 );
expectedForces[358] = Vec3( -4.0852118e+01, -4.3087314e+02, 4.1855459e+01 );
expectedForces[359] = Vec3( -3.2767902e+02, -7.8083477e+02, 1.1111190e+03 );
expectedForces[360] = Vec3( -1.0691030e+03, 3.1877408e+02, -7.9684323e+02 );
expectedForces[361] = Vec3( 7.7603235e+02, 3.6577850e+02, -1.9093841e+02 );
expectedForces[362] = Vec3( -4.7607360e+02, -5.1710653e+02, 7.2740737e+02 );
expectedForces[363] = Vec3( 9.3461900e+02, 7.9988609e+01, -5.8055314e+02 );
expectedForces[364] = Vec3( -9.8128918e+02, -2.6706371e+02, -3.5178135e+01 );
expectedForces[365] = Vec3( -6.5196668e+02, 8.7618054e+02, 3.3040412e+02 );
expectedForces[366] = Vec3( 5.5458970e+02, -1.1281839e+03, -8.2774754e+02 );
expectedForces[367] = Vec3( 1.8491757e+02, -5.1421593e+01, 4.7068191e+02 );
expectedForces[368] = Vec3( -4.3945944e+02, 8.2740025e+02, -2.1736033e+01 );
expectedForces[369] = Vec3( -2.5609394e+02, -6.7141305e+02, -3.2964376e+02 );
expectedForces[370] = Vec3( 1.4932730e+02, 2.2746635e+02, -3.7606156e+01 );
expectedForces[371] = Vec3( 3.0873674e+02, 5.9974800e+02, 4.2207331e+02 );
expectedForces[372] = Vec3( -3.8828932e+02, -2.1491002e+02, 1.5266506e+03 );
expectedForces[373] = Vec3( 4.4495676e+02, 6.4708482e+02, -9.2222368e+02 );
expectedForces[374] = Vec3( -4.8420767e+01, -4.3781484e+02, -5.0107314e+02 );
expectedForces[375] = Vec3( 5.7593719e+02, -1.8140066e+03, -4.0189721e+02 );
expectedForces[376] = Vec3( -5.1276233e+02, 6.6981030e+02, 3.9050744e+02 );
expectedForces[377] = Vec3( 4.0809391e+02, 1.1596412e+03, -4.1325341e+02 );
expectedForces[378] = Vec3( 1.4975560e+03, 1.7852942e+02, -7.6514466e+02 );
expectedForces[379] = Vec3( -2.2890988e+02, 2.6128742e+02, 3.8545036e+02 );
expectedForces[380] = Vec3( -3.8899762e+02, -2.5609958e+02, 2.0655882e+02 );
expectedForces[381] = Vec3( -1.9500869e+02, -1.0947633e+03, -9.1786660e+02 );
expectedForces[382] = Vec3( 8.6146884e+02, 2.5767444e+02, 3.6801549e+02 );
expectedForces[383] = Vec3( -2.0008562e+02, 2.1549793e+02, 2.5175877e+02 );
expectedForces[384] = Vec3( -5.6491749e+02, 5.4714989e+02, 3.1934114e+02 );
expectedForces[385] = Vec3( 1.7665111e+02, -4.5297277e+02, 2.2387580e+02 );
expectedForces[386] = Vec3( 6.2697664e+02, 1.1271358e+02, 2.9498078e+00 );
expectedForces[387] = Vec3( -2.1918090e+03, -7.8914005e+01, 1.0632280e+03 );
expectedForces[388] = Vec3( 7.5750278e+02, -5.0217666e+02, -1.3057335e+02 );
expectedForces[389] = Vec3( 1.0621096e+03, 1.6022661e+01, -1.1645539e+03 );
expectedForces[390] = Vec3( -4.7808938e+02, -1.2425496e+03, -1.5543074e+02 );
expectedForces[391] = Vec3( -3.4676860e+02, 8.5391303e+02, 3.5351618e+01 );
expectedForces[392] = Vec3( 5.4017203e+02, 8.6467815e+01, 1.1898140e+02 );
expectedForces[393] = Vec3( -1.8873828e+01, 2.2133074e+02, -1.3378739e+03 );
expectedForces[394] = Vec3( 7.5888012e+01, -1.6517743e+01, 1.1817186e+02 );
expectedForces[395] = Vec3( 1.1912944e+02, -1.6083226e+02, 7.8733940e+02 );
expectedForces[396] = Vec3( -1.2400005e+03, -3.9434827e+02, 1.4071802e+02 );
expectedForces[397] = Vec3( 9.6249284e+02, 1.1394516e+02, -3.4977717e+02 );
expectedForces[398] = Vec3( 2.4187486e+02, 1.3373651e+02, 6.5894105e+01 );
expectedForces[399] = Vec3( 8.8628445e+02, 7.8083892e+01, -1.0288922e+03 );
expectedForces[400] = Vec3( -9.4613057e+02, -1.9076053e+02, 6.7506442e+02 );
expectedForces[401] = Vec3( -6.2746897e+02, 2.9376858e+02, 9.2767458e+02 );
expectedForces[402] = Vec3( 5.5409175e+01, -1.2583442e+03, 7.1728490e+02 );
expectedForces[403] = Vec3( -2.9076856e+02, 7.5539656e+02, 7.0121763e+00 );
expectedForces[404] = Vec3( 2.6220897e+02, -9.5606102e+01, -7.7725998e+02 );
expectedForces[405] = Vec3( -8.6582014e+02, 9.5597761e+02, 1.5941783e+02 );
expectedForces[406] = Vec3( -1.6910265e+02, -7.2646192e+02, -3.5476587e+02 );
expectedForces[407] = Vec3( 9.7629076e+02, -8.3969437e+01, 2.5523637e+02 );
expectedForces[408] = Vec3( -4.9553396e+01, 6.3557270e+02, -7.5908312e+02 );
expectedForces[409] = Vec3( 3.3210227e+01, 1.5198340e+02, 7.0322192e+02 );
expectedForces[410] = Vec3( -2.6532687e+01, -4.1589199e+02, 4.2771258e+02 );
expectedForces[411] = Vec3( 1.1412630e+03, -2.7366656e+02, 9.8419548e+02 );
expectedForces[412] = Vec3( -3.7239786e+02, 7.2244667e+01, -9.9502150e+02 );
expectedForces[413] = Vec3( -4.6476941e+02, -6.1433607e+01, -2.5459288e+02 );
expectedForces[414] = Vec3( 9.7028883e+02, 5.5981848e+02, 8.4425262e+02 );
expectedForces[415] = Vec3( 7.2811577e+01, 2.2872709e+02, -1.3822700e+03 );
expectedForces[416] = Vec3( -1.0105821e+03, -2.8444698e+02, -7.2506392e+02 );
expectedForces[417] = Vec3( 1.0027865e+03, 6.0924816e+02, -5.7818592e+01 );
expectedForces[418] = Vec3( -3.4173955e+02, -1.1932310e+02, -2.9495449e+01 );
expectedForces[419] = Vec3( -2.7281265e+02, -1.8869212e+02, 1.9643932e+02 );
expectedForces[420] = Vec3( -7.4036328e+02, -4.8733524e+02, 1.5862094e+03 );
expectedForces[421] = Vec3( 5.6387864e+02, 3.0991659e+02, -8.6746725e+02 );
expectedForces[422] = Vec3( 6.2954421e-01, 4.9665567e+02, -1.0114913e+03 );
expectedForces[423] = Vec3( 8.9668630e+02, -1.0121499e+03, -1.1520006e+03 );
expectedForces[424] = Vec3( -2.5699741e+02, 3.3243520e+02, 7.6038873e+02 );
expectedForces[425] = Vec3( -1.2755484e+03, -2.7786159e+01, 3.0900583e+02 );
expectedForces[426] = Vec3( -1.2587339e+03, -8.6851333e+02, 1.6295957e+02 );
expectedForces[427] = Vec3( 6.4923970e+02, 4.4600015e+02, 3.3033348e+02 );
expectedForces[428] = Vec3( 5.8905637e+02, -1.1589062e+02, -1.8168184e+02 );
expectedForces[429] = Vec3( -1.1223714e+03, 3.0322406e+01, 8.7272053e+02 );
expectedForces[430] = Vec3( 3.0982625e+02, 3.1418220e+02, -3.9301742e+02 );
expectedForces[431] = Vec3( 2.4213933e+02, -7.2382572e+02, -1.0155346e+03 );
expectedForces[432] = Vec3( 1.1479692e+03, -1.6837721e+03, 1.0545407e+02 );
expectedForces[433] = Vec3( -8.2496264e+02, 6.0540594e+02, 1.3979931e+02 );
expectedForces[434] = Vec3( -6.8171514e+02, 4.0392791e+02, -3.4712316e+02 );
expectedForces[435] = Vec3( -1.5568889e+02, -1.4652975e+03, 5.1518148e+01 );
expectedForces[436] = Vec3( 5.6573856e+02, 3.5494119e+02, -3.3796345e+02 );
expectedForces[437] = Vec3( -1.3938679e+02, 4.2296152e+02, -2.0539863e+02 );
expectedForces[438] = Vec3( 8.9203493e+01, 2.8764597e+02, -7.3273496e+02 );
expectedForces[439] = Vec3( 4.3114292e+02, 9.4778082e+01, 1.8894761e+02 );
expectedForces[440] = Vec3( -2.2798193e+01, -4.5460891e+01, 9.8310963e+01 );
expectedForces[441] = Vec3( -2.1793579e+02, -1.0807542e+03, -2.3470465e+01 );
expectedForces[442] = Vec3( 1.3881360e+02, 3.9806903e+02, 4.1089741e+01 );
expectedForces[443] = Vec3( -4.5604974e+02, 4.8515999e+02, -6.6025174e+02 );
expectedForces[444] = Vec3( 3.6437700e+02, -8.1622511e+02, -9.6454258e+02 );
expectedForces[445] = Vec3( 3.1998690e+02, -3.3342314e+02, 1.2441763e+03 );
expectedForces[446] = Vec3( 3.0822409e+01, 2.0596612e+02, 2.0937122e+02 );
expectedForces[447] = Vec3( -8.4938718e+02, -1.1366483e+03, -1.3638049e+02 );
expectedForces[448] = Vec3( -5.5232451e+01, 4.7335097e+02, -5.4433565e+02 );
expectedForces[449] = Vec3( 6.5928852e+02, 1.7488804e+02, 6.7879378e+02 );
expectedForces[450] = Vec3( -9.4572079e+02, 1.9162420e+02, 4.7935043e+02 );
expectedForces[451] = Vec3( 2.5029547e+02, 3.6606767e+01, -9.3423713e+01 );
expectedForces[452] = Vec3( 1.6543841e+02, -1.1892943e+02, -5.8737050e+02 );
expectedForces[453] = Vec3( -9.8495219e+02, -1.6882428e+03, -4.0576035e+02 );
expectedForces[454] = Vec3( 7.9182557e+02, 5.3997699e+02, 3.3231603e+02 );
expectedForces[455] = Vec3( 1.8277090e+01, 1.4623150e+03, -9.4985721e+01 );
expectedForces[456] = Vec3( -1.0471948e+03, 4.6746395e+02, -1.5020000e+03 );
expectedForces[457] = Vec3( 7.2055316e+02, -5.4467216e+02, 4.0459421e+02 );
expectedForces[458] = Vec3( 7.5475531e+01, 4.9532870e+02, 1.3002474e+03 );
expectedForces[459] = Vec3( 6.3589773e+02, -2.1402397e+02, -1.4147509e+03 );
expectedForces[460] = Vec3( 2.8391861e+02, -8.0142885e+01, 5.6445225e+02 );
expectedForces[461] = Vec3( -8.2442674e+02, 5.3520687e+02, 1.1406667e+03 );
expectedForces[462] = Vec3( -5.7988771e+02, -3.3512887e+02, 4.5461752e+02 );
expectedForces[463] = Vec3( 4.5746059e+02, 3.1029926e+02, -5.0060176e+02 );
expectedForces[464] = Vec3( 7.7747136e+02, 4.2131732e+02, 5.5836239e+02 );
expectedForces[465] = Vec3( -1.2315491e+03, 9.4066088e+02, 9.6145313e+02 );
expectedForces[466] = Vec3( 7.9043841e+02, -2.2172613e+02, -2.6508587e+02 );
expectedForces[467] = Vec3( 7.8197894e+02, -3.1383822e+02, 2.5444013e+02 );
expectedForces[468] = Vec3( -7.1139498e+01, -7.1203189e+01, -4.6845544e+02 );
expectedForces[469] = Vec3( -8.9774100e+01, 1.4389287e+02, 9.8957451e+01 );
expectedForces[470] = Vec3( 3.0397922e+02, -2.8247850e+01, 4.4896034e+02 );
expectedForces[471] = Vec3( -9.7808367e+02, 1.0170553e+03, 8.1594649e+02 );
expectedForces[472] = Vec3( 1.8933676e+02, -8.8053046e+02, 6.8784042e+01 );
expectedForces[473] = Vec3( 5.1636668e+02, 1.2970985e+02, -8.9380858e+02 );
expectedForces[474] = Vec3( -5.8549608e+02, -1.8351156e+02, -5.8043066e+02 );
expectedForces[475] = Vec3( 2.7877663e+02, -3.6576715e+02, 3.5497095e+02 );
expectedForces[476] = Vec3( 3.0642370e+02, 5.3438407e+02, 1.9409584e+02 );
expectedForces[477] = Vec3( -4.8523805e+02, 1.2253320e+03, 9.6414379e+02 );
expectedForces[478] = Vec3( -1.5213013e+02, -2.0017205e+02, -6.6602643e+02 );
expectedForces[479] = Vec3( 4.6435225e+02, -4.1945066e+02, -8.6774270e+01 );
expectedForces[480] = Vec3( 2.4946889e+02, -1.0456281e+03, 4.7404434e+02 );
expectedForces[481] = Vec3( -3.0813505e+01, 2.8598938e+02, 7.7374350e+01 );
expectedForces[482] = Vec3( -2.4538851e+02, 3.8306987e+02, -5.0235520e+02 );
expectedForces[483] = Vec3( 4.0348805e+01, 1.3050360e+03, -6.8725580e+02 );
expectedForces[484] = Vec3( -1.1095514e+02, -2.7711572e+02, 2.6929959e+02 );
expectedForces[485] = Vec3( -6.8071081e+01, -3.4398150e+02, 2.5209743e+02 );
expectedForces[486] = Vec3( 2.1534786e+03, 1.3249493e+01, 7.4171165e+01 );
expectedForces[487] = Vec3( -7.2618755e+02, -3.2914219e+02, 2.5917332e+02 );
expectedForces[488] = Vec3( -1.0231949e+03, 7.2426062e+02, 1.9111862e+02 );
expectedForces[489] = Vec3( 1.1408866e+03, 6.7858353e+02, -2.1410916e+02 );
expectedForces[490] = Vec3( -4.5559047e+02, -1.3597950e+02, -3.2284091e+02 );
expectedForces[491] = Vec3( -8.5558133e+02, -7.1748324e+01, 5.3332261e+02 );
expectedForces[492] = Vec3( -7.1393886e+02, -1.1275222e+03, -6.2147584e+02 );
expectedForces[493] = Vec3( 4.4029614e+02, 1.0518224e+02, 4.6519788e+02 );
expectedForces[494] = Vec3( -3.5770378e+02, 1.0311834e+03, 2.2141802e+02 );
expectedForces[495] = Vec3( -2.6023787e+02, 1.0070248e+03, -1.1113552e+03 );
expectedForces[496] = Vec3( -3.4950242e+02, 2.8418846e+01, 1.2865161e+03 );
expectedForces[497] = Vec3( 1.5030225e+02, -7.7257505e+02, 8.7232628e+02 );
expectedForces[498] = Vec3( -1.7416695e+02, 9.9945569e+02, -1.6742483e+02 );
expectedForces[499] = Vec3( 2.0837481e+02, -1.9388709e+02, 9.7409815e+01 );
expectedForces[500] = Vec3( -1.0129845e+02, -6.8652976e+02, 8.4930186e+02 );
expectedForces[501] = Vec3( 1.2276099e+03, 1.6531986e+02, 3.6342506e+02 );
expectedForces[502] = Vec3( -1.9998077e+02, -2.6164759e+02, -1.6601933e+02 );
expectedForces[503] = Vec3( -4.0356327e+02, 4.0549152e+02, 2.9710052e+02 );
expectedForces[504] = Vec3( -7.3045150e+02, -1.6677706e+03, -9.8671765e+02 );
expectedForces[505] = Vec3( -2.1441879e+02, 1.4962605e+03, 5.6350856e+02 );
expectedForces[506] = Vec3( 7.1102593e+02, 5.9407971e+02, 9.5452239e+02 );
expectedForces[507] = Vec3( 3.2291041e+02, 1.3943261e+03, -1.8477432e+03 );
expectedForces[508] = Vec3( -1.7778104e+02, 2.8034575e+02, 1.1385089e+03 );
expectedForces[509] = Vec3( -2.4943297e+02, -9.0965773e+02, 5.2737490e+02 );
expectedForces[510] = Vec3( -3.8318508e+02, 1.3999092e+03, -5.9960180e+02 );
expectedForces[511] = Vec3( 2.6930065e+01, -3.6603454e+02, 1.0460530e+03 );
expectedForces[512] = Vec3( -1.8964668e+02, -1.1663184e+03, -2.8438291e+02 );
expectedForces[513] = Vec3( -9.4679273e+02, 8.7408257e+01, -2.5740702e+02 );
expectedForces[514] = Vec3( 1.6558849e+02, 3.3561310e+02, 3.8532718e+02 );
expectedForces[515] = Vec3( 4.0403504e+02, -8.5545173e+02, 4.0647038e+02 );
expectedForces[516] = Vec3( 8.3825526e+02, 5.0343638e+01, -3.9171626e+02 );
expectedForces[517] = Vec3( -4.0069871e+02, -6.4140295e+02, 7.5218861e+01 );
expectedForces[518] = Vec3( -6.5213072e+02, 4.1689581e+02, -8.9280241e+01 );
expectedForces[519] = Vec3( 4.0832996e+02, -3.4272605e+02, -9.2740030e+02 );
expectedForces[520] = Vec3( -2.1128040e+01, -7.3467005e+02, 6.5449252e+02 );
expectedForces[521] = Vec3( -2.8042421e+02, 3.3193211e+02, 5.1272473e+02 );
expectedForces[522] = Vec3( -1.2057322e+03, 3.3276609e+02, 6.8838073e+02 );
expectedForces[523] = Vec3( 8.9270663e+02, 1.3914748e+02, -8.7213182e+02 );
expectedForces[524] = Vec3( 8.8063936e+02, -2.4952564e+02, -8.3942753e+01 );
expectedForces[525] = Vec3( 3.6527919e+02, 3.3758036e+02, -1.3449147e+03 );
expectedForces[526] = Vec3( 7.1836993e+01, -3.9380031e+01, 4.7169292e+02 );
expectedForces[527] = Vec3( -7.2114939e+01, -1.3679457e+02, 3.9080695e+02 );
expectedForces[528] = Vec3( 1.1465645e+02, -4.4994719e+02, -3.4180224e+02 );
expectedForces[529] = Vec3( -6.0950292e+01, 4.2825716e+02, -1.4233246e+02 );
expectedForces[530] = Vec3( -1.9112828e+02, -2.8511065e+00, 2.6894050e+02 );
expectedForces[531] = Vec3( 4.4955085e+02, 2.0459389e+02, 8.9486972e+02 );
expectedForces[532] = Vec3( 6.6339624e+01, -4.2734850e+01, -4.8004048e+02 );
expectedForces[533] = Vec3( -5.0521801e+02, -1.6330265e+02, -6.2374206e+02 );
expectedForces[534] = Vec3( -1.1019306e+03, -4.5760347e+02, 4.6134602e+01 );
expectedForces[535] = Vec3( 4.9278700e+02, 8.0495847e+02, -5.7470233e+01 );
expectedForces[536] = Vec3( 9.9361557e+02, -2.4453172e+02, -3.7696369e+02 );
expectedForces[537] = Vec3( -1.1168499e+03, -2.1108925e+02, -4.1233970e+02 );
expectedForces[538] = Vec3( 5.6559058e+02, -2.8153614e+02, 3.0539700e+02 );
expectedForces[539] = Vec3( 4.0805303e+02, 2.8796083e+02, -3.0009135e+01 );
expectedForces[540] = Vec3( -8.5249075e+02, -1.0560038e+03, -6.5111795e+02 );
expectedForces[541] = Vec3( 8.4653565e+02, 2.0615416e+02, -1.5085906e+02 );
expectedForces[542] = Vec3( -2.8200251e+02, 6.6950966e+02, 5.9661450e+02 );
expectedForces[543] = Vec3( -9.3339994e+01, 8.7084190e+02, -7.8375352e+02 );
expectedForces[544] = Vec3( 1.4187243e+02, 1.2829809e+02, 8.0626841e+02 );
expectedForces[545] = Vec3( 1.5403073e+02, -4.5932125e+02, -8.3051878e+00 );
expectedForces[546] = Vec3( 1.3919197e+03, 5.4728737e+02, -1.0548033e+03 );
expectedForces[547] = Vec3( -2.7215065e+02, 1.5112718e+02, 6.7366542e+02 );
expectedForces[548] = Vec3( -7.8677637e+02, -2.6895175e+02, 4.3374996e+02 );
expectedForces[549] = Vec3( 6.6014864e+02, -1.1474704e+03, -3.7199889e+02 );
expectedForces[550] = Vec3( -5.8741315e+02, 2.6286109e+02, 1.9036264e+02 );
expectedForces[551] = Vec3( 1.4325969e+02, 7.8928381e+02, 3.6304214e+02 );
expectedForces[552] = Vec3( -9.6661866e+02, -1.0462801e+03, -6.3261994e+02 );
expectedForces[553] = Vec3( 5.5171916e+02, 2.8672800e+02, 2.7240662e+02 );
expectedForces[554] = Vec3( 1.1625052e+03, 7.7864110e+02, -5.2588322e+02 );
expectedForces[555] = Vec3( 1.7042269e+03, -5.8973225e+02, 1.4814500e+02 );
expectedForces[556] = Vec3( -7.7324022e+02, 2.9167426e+02, -1.0262563e+02 );
expectedForces[557] = Vec3( -5.4655014e+02, -8.4339654e+01, 9.7375629e+02 );
expectedForces[558] = Vec3( -6.9618127e+02, -1.6878530e+02, 7.1078501e+02 );
expectedForces[559] = Vec3( 6.9623995e+02, -3.7038954e+01, 2.2671528e+02 );
expectedForces[560] = Vec3( -7.1025694e+01, -1.8643963e+02, -8.0181026e+02 );
expectedForces[561] = Vec3( -1.4598467e+02, 1.7170707e+03, -4.3305456e+02 );
expectedForces[562] = Vec3( 7.9582463e+02, -5.9551245e+02, 8.3485625e+01 );
expectedForces[563] = Vec3( -4.6812643e+02, -3.4598874e+02, -3.6753356e+01 );
expectedForces[564] = Vec3( -1.8586268e+02, 3.1377143e+02, -1.6616022e+03 );
expectedForces[565] = Vec3( 7.4400496e+02, 5.5058789e+02, 7.5374599e+02 );
expectedForces[566] = Vec3( -6.3347529e+02, -3.1407006e+02, 8.2964691e+02 );
expectedForces[567] = Vec3( -4.2499528e+02, 9.4575975e+02, -6.6700103e+02 );
expectedForces[568] = Vec3( -9.2637696e+02, -6.6301622e+02, 3.9913705e+02 );
expectedForces[569] = Vec3( 5.0588430e+02, -8.1942697e+01, 4.2128365e+02 );
expectedForces[570] = Vec3( 2.7165158e+02, 2.7387902e+02, 1.0850277e+03 );
expectedForces[571] = Vec3( -6.8391471e+00, -1.2886307e+02, -5.3501450e+02 );
expectedForces[572] = Vec3( -2.9936240e+02, -2.2085475e+02, -6.9670281e+01 );
expectedForces[573] = Vec3( 1.6853422e+02, 4.8410887e+02, 1.0517406e+03 );
expectedForces[574] = Vec3( -4.9287521e+02, 1.6557733e+01, -3.4008916e+02 );
expectedForces[575] = Vec3( 1.1132397e+02, -9.8734894e+02, -1.1154151e+02 );
expectedForces[576] = Vec3( 3.8645582e+02, 4.3709361e+02, 1.4861132e+03 );
expectedForces[577] = Vec3( -1.0169967e+03, -3.5279110e+02, -5.4860861e+02 );
expectedForces[578] = Vec3( 2.8875246e+02, 5.3726711e+01, -5.9395936e+02 );
expectedForces[579] = Vec3( 1.5169994e+03, 8.7535209e+01, 1.0103159e+03 );
expectedForces[580] = Vec3( -1.9439968e+02, -7.9639200e+02, -1.0439069e+03 );
expectedForces[581] = Vec3( -8.7374025e+02, 2.0597360e+02, 1.0218319e+02 );
expectedForces[582] = Vec3( 6.4275846e+02, -6.2671529e+02, 8.9274592e+02 );
expectedForces[583] = Vec3( -5.4449356e+01, 7.2615928e+02, -9.1355057e+02 );
expectedForces[584] = Vec3( -2.7242606e+02, 3.9376960e+02, -4.7692581e+01 );
expectedForces[585] = Vec3( 2.6578654e+02, -6.7385441e+02, -1.5306127e+03 );
expectedForces[586] = Vec3( 5.1049761e+02, 7.3430855e+02, 6.1178168e+02 );
expectedForces[587] = Vec3( -3.3593193e+02, 3.5079666e+01, 9.7444298e+02 );
expectedForces[588] = Vec3( -7.8227654e+01, -1.1050481e+03, 1.4161574e+03 );
expectedForces[589] = Vec3( -7.6753407e+02, 9.7291633e+02, 1.9943116e+02 );
expectedForces[590] = Vec3( 2.9274184e+02, -2.5706985e+01, -5.8944290e+02 );
expectedForces[591] = Vec3( -1.2502829e+03, 2.2304820e+02, -8.8573767e+02 );
expectedForces[592] = Vec3( 1.2218682e+02, -8.2110835e+02, 3.4276058e+02 );
expectedForces[593] = Vec3( 8.9529566e+02, -1.8417573e+02, 8.4717919e+02 );
expectedForces[594] = Vec3( -4.6475772e+01, -1.5493620e+03, 4.8004365e+02 );
expectedForces[595] = Vec3( 6.7104033e+02, 4.7267915e+02, -6.2630817e+02 );
expectedForces[596] = Vec3( -2.2771561e+02, 2.7463551e+02, -2.9704610e+00 );
expectedForces[597] = Vec3( 1.7757815e+02, -1.8906761e+03, -1.6656886e+02 );
expectedForces[598] = Vec3( -7.4745588e+01, 1.0353962e+03, 4.2924498e+02 );
expectedForces[599] = Vec3( -5.5648197e+02, 7.7838572e+02, -4.1677346e+02 );
expectedForces[600] = Vec3( -5.2972489e+02, 1.1967117e+02, 1.0565388e+03 );
expectedForces[601] = Vec3( 7.8379665e+02, -4.1803420e+02, 2.0308387e+02 );
expectedForces[602] = Vec3( 1.2705528e+02, 1.1663435e+02, -7.6514830e+02 );
expectedForces[603] = Vec3( -1.5203094e+03, -8.5825144e+01, -2.3039380e+02 );
expectedForces[604] = Vec3( 5.2063739e+02, -1.7259834e+02, -2.9854160e+01 );
expectedForces[605] = Vec3( 4.7448961e+02, 2.8282389e+02, 3.4257463e+01 );
expectedForces[606] = Vec3( 1.4519531e+03, -1.2031444e+03, -6.7084095e+02 );
expectedForces[607] = Vec3( -7.5308994e+02, -3.2117501e+02, 5.7700017e+02 );
expectedForces[608] = Vec3( -1.7643179e+02, 8.5655779e+02, -2.6285482e+02 );
expectedForces[609] = Vec3( -1.3868959e+03, -1.6195505e+01, -1.3783528e+03 );
expectedForces[610] = Vec3( 2.8034476e+02, -4.2360778e+02, 4.5904202e+02 );
expectedForces[611] = Vec3( 1.0938532e+03, 6.2455629e+02, -1.0108636e+02 );
expectedForces[612] = Vec3( 9.1439974e+01, -7.2813810e+02, 1.0197075e+03 );
expectedForces[613] = Vec3( 1.4048294e+02, 2.5667744e+02, -5.1914694e+02 );
expectedForces[614] = Vec3( -2.5604629e+01, 2.9915218e+01, -5.1582702e+02 );
expectedForces[615] = Vec3( 2.0331673e+02, 1.5538650e+02, -1.1836865e+03 );
expectedForces[616] = Vec3( -2.3788957e+02, -1.1872269e+02, 9.7052698e+02 );
expectedForces[617] = Vec3( -3.2419551e+01, -1.8828745e+02, 4.3037423e+02 );
expectedForces[618] = Vec3( -4.8585762e+02, 1.4114027e+02, 1.6021114e+02 );
expectedForces[619] = Vec3( 2.8744134e+02, -5.7197623e+02, -1.8323508e+02 );
expectedForces[620] = Vec3( 2.3652930e+02, -1.5448350e+01, 2.1721186e+01 );
expectedForces[621] = Vec3( 1.1684581e+03, 2.2790484e+02, 2.7798348e+02 );
expectedForces[622] = Vec3( -4.6823976e+02, -6.1804544e+02, 2.7193441e+02 );
expectedForces[623] = Vec3( -5.8173089e+02, 4.4573870e+02, -6.0699430e+02 );
expectedForces[624] = Vec3( 7.9759250e+02, 1.8480473e+03, -5.1434277e+02 );
expectedForces[625] = Vec3( -1.0945975e+03, -6.0402685e+02, 1.5843017e+02 );
expectedForces[626] = Vec3( 1.2334392e+02, -9.5602838e+02, 7.8137824e+02 );
expectedForces[627] = Vec3( -8.5863208e+02, -5.7413454e+02, 1.7014217e+02 );
expectedForces[628] = Vec3( -1.2232569e+02, 6.0505774e+02, -1.6806693e+02 );
expectedForces[629] = Vec3( 6.1488135e+02, 4.1603705e+02, 2.1121948e+02 );
expectedForces[630] = Vec3( 2.1858899e+02, 1.2961013e+03, 4.8534041e+02 );
expectedForces[631] = Vec3( 2.1292701e+02, -4.1049165e+02, 3.9057142e+00 );
expectedForces[632] = Vec3( -6.3342469e+02, -8.7529004e+02, 6.1928550e+01 );
expectedForces[633] = Vec3( -7.3207079e+02, -1.3874807e+03, 8.6303032e+02 );
expectedForces[634] = Vec3( 6.6660351e+02, 9.5813895e+02, -1.4555416e+02 );
expectedForces[635] = Vec3( 4.1800653e+02, 2.4677420e+02, -1.1424272e+03 );
expectedForces[636] = Vec3( 8.3570430e+02, -1.5342969e+03, -1.2510269e+03 );
expectedForces[637] = Vec3( -3.0635229e+02, 1.2465088e+03, -1.9679529e+01 );
expectedForces[638] = Vec3( -6.5317178e+02, -1.6432929e+02, 9.2427724e+02 );
expectedForces[639] = Vec3( 1.5665680e+03, 9.8040004e+01, 1.0786497e+02 );
expectedForces[640] = Vec3( -4.6590380e+02, -3.7603795e+02, -9.4955273e+02 );
expectedForces[641] = Vec3( -8.7572108e+02, 5.1750570e+02, -1.2268062e+02 );
expectedForces[642] = Vec3( 1.1575067e+03, -2.2857204e+02, -2.3816900e+02 );
expectedForces[643] = Vec3( -2.6229644e+02, 3.1069110e+02, -1.2098536e+02 );
expectedForces[644] = Vec3( -1.8195659e+02, -3.8984698e+02, 6.4622752e+02 );
expectedForces[645] = Vec3( 1.0756277e+03, 2.7459106e+01, 1.0850508e+03 );
expectedForces[646] = Vec3( -6.4620310e+02, 2.5885783e+02, -2.0567224e+02 );
expectedForces[647] = Vec3( -4.7388806e+02, -5.5561844e+02, -8.5019295e+02 );
double tolerance = 1.0e-03;
compareForcesEnergy( testName, expectedEnergy, energy, expectedForces, forces, tolerance, log );
}
int main( int numberOfArguments, char* argv[] ) { int main( int numberOfArguments, char* argv[] ) {
try { try {
...@@ -1408,6 +2871,10 @@ int main( int numberOfArguments, char* argv[] ) { ...@@ -1408,6 +2871,10 @@ int main( int numberOfArguments, char* argv[] ) {
testMultipoleGridPotential( log ); testMultipoleGridPotential( log );
// large box of water
testPMEMutualPolarizationLargeWater( log );
} catch(const std::exception& e) { } catch(const std::exception& e) {
std::cout << "exception: " << e.what() << std::endl; std::cout << "exception: " << e.what() << std::endl;
std::cout << "FAIL - ERROR. Test failed." << std::endl; std::cout << "FAIL - ERROR. Test failed." << std::endl;
......
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