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tsoc
openmm
Commits
56b8df1c
Commit
56b8df1c
authored
Jan 25, 2016
by
Saurabh Belsare
Browse files
Debugging 4
parent
ee385aa8
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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
View file @
56b8df1c
...
@@ -1838,7 +1838,7 @@ void AmoebaReferenceMultipoleForce::calculateLabFramePermanentDipoles(const vect
...
@@ -1838,7 +1838,7 @@ void AmoebaReferenceMultipoleForce::calculateLabFramePermanentDipoles(const vect
setup(particlePositions, charges, dipoles, quadrupoles, tholes,
setup(particlePositions, charges, dipoles, quadrupoles, tholes,
dampingFactors, polarity, axisTypes, multipoleAtomZs, multipoleAtomXs, multipoleAtomYs,
dampingFactors, polarity, axisTypes, multipoleAtomZs, multipoleAtomXs, multipoleAtomYs,
multipoleAtomCovalentInfo, particleData);
multipoleAtomCovalentInfo, particleData);
cout << "This is a dipole test uniqueString" << particleData
[0].dipole
.size() << endl;
cout << "This is a dipole test uniqueString" << particleData.size() << endl;
for (int i = 0; i < _numParticles; i++)
for (int i = 0; i < _numParticles; i++)
{
{
_labFramePermanentDipole[i] = particleData[i].dipole;
_labFramePermanentDipole[i] = particleData[i].dipole;
...
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