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tsoc
openmm
Commits
d3aa60e9
Commit
d3aa60e9
authored
Jan 25, 2016
by
Saurabh Belsare
Browse files
Commented out extra two LabFrameDipole calculation headers
parent
5f248e63
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plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.h
...erence/src/SimTKReference/AmoebaReferenceMultipoleForce.h
+4
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plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.h
View file @
d3aa60e9
...
...
@@ -1008,12 +1008,12 @@ protected:
*/
virtual
void
calculateInducedDipoles
(
const
std
::
vector
<
MultipoleParticleData
>&
particleData
);
/*
*
/*
* Calculate permanent dipoles rotated in the lab frame.
*
* @param particleData vector of particle positions and parameters (charge, labFrame dipoles, quadrupoles, ...)
*/
virtual
void
calculateLabFramePermanentDipoles
(
const
std
::
vector
<
MultipoleParticleData
>&
particleData
);
//
virtual void calculateLabFramePermanentDipoles(const std::vector<MultipoleParticleData>& particleData);
/**
* Setup:
...
...
@@ -1263,12 +1263,12 @@ private:
*/
void
calculateInducedDipoles
(
const
std
::
vector
<
MultipoleParticleData
>&
particleData
);
/*
*
/*
* Calculate fixed dipoles rotated in the lab frame.
*
* @param particleData vector of particle positions and parameters (charge, labFrame dipoles, quadrupoles, ...)
*/
void
calculateLabFramePermanentDipoles
(
const
std
::
vector
<
MultipoleParticleData
>&
particleData
);
//
void calculateLabFramePermanentDipoles(const std::vector<MultipoleParticleData>& particleData);
/**
* Calculate fields due induced dipoles at each site.
...
...
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