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tsoc
openmm
Commits
ee385aa8
Commit
ee385aa8
authored
Jan 25, 2016
by
Saurabh Belsare
Browse files
Debugging 3
parent
817a2265
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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 @
ee385aa8
...
...
@@ -1838,7 +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"
<<
size
(
particleData
[
0
].
dipole
)
<<
endl
;
cout << "This is a dipole test uniqueString" << particleData[0].dipole
.size(
) << endl;
for (int i = 0; i < _numParticles; i++)
{
_labFramePermanentDipole[i] = particleData[i].dipole;
...
...
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