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tsoc
openmm
Commits
23a49345
Commit
23a49345
authored
Jan 25, 2016
by
Saurabh Belsare
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Debugging 1
parent
969e0e94
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plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
...ence/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
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plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
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23a49345
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@@ -1838,6 +1838,7 @@ void AmoebaReferenceMultipoleForce::calculateLabFramePermanentDipoles(const vect
setup(particlePositions, charges, dipoles, quadrupoles, tholes,
dampingFactors, polarity, axisTypes, multipoleAtomZs, multipoleAtomXs, multipoleAtomYs,
multipoleAtomCovalentInfo, particleData);
cout << "This is a dipole test uniqueString" << particleData[0].dipole[0] << endl;
for (int i = 0; i < _numParticles; i++)
{
_labFramePermanentDipole[i] = particleData[i].dipole;
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