apoCHARMM 1.0.0
High-performance molecular dynamics simulations on GPUs
 
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HarmonicCenterOfMassRestraintForce< AT, CT > Member List

This is the complete list of members for HarmonicCenterOfMassRestraintForce< AT, CT >, including all inherited members.

calcForce(const float4 *xyzq, const bool calcEnergy, const bool calcVirial)HarmonicCenterOfMassRestraintForce< AT, CT >
clear(void)HarmonicCenterOfMassRestraintForce< AT, CT >
contributesVirialHarmonicCenterOfMassRestraintForce< AT, CT >static
getEnergyVirial(void)HarmonicCenterOfMassRestraintForce< AT, CT >
getForce(void)HarmonicCenterOfMassRestraintForce< AT, CT >
getStream(void)HarmonicCenterOfMassRestraintForce< AT, CT >
HarmonicCenterOfMassRestraintForce(void)=deleteHarmonicCenterOfMassRestraintForce< AT, CT >
HarmonicCenterOfMassRestraintForce(const int numAtoms)HarmonicCenterOfMassRestraintForce< AT, CT >
initialize(const int numAtoms, const std::vector< double > &boxDimensions)HarmonicCenterOfMassRestraintForce< AT, CT >
setBoxDimensions(const std::vector< double > &boxDimensions)HarmonicCenterOfMassRestraintForce< AT, CT >
setForceConstant(const double forceConstant)HarmonicCenterOfMassRestraintForce< AT, CT >
setMasses(const std::vector< double > &masses)HarmonicCenterOfMassRestraintForce< AT, CT >
setMassWeighting(const bool useMassWeighting)HarmonicCenterOfMassRestraintForce< AT, CT >
setReferenceDistance(const double referenceDistance)HarmonicCenterOfMassRestraintForce< AT, CT >
setReferencePosition(const std::vector< double > &referencePosition)HarmonicCenterOfMassRestraintForce< AT, CT >
setReferencePosition(const std::vector< double > &referencePosition, const std::vector< int > &referenceMask)HarmonicCenterOfMassRestraintForce< AT, CT >
setSelection(const AtomSelection &selection)HarmonicCenterOfMassRestraintForce< AT, CT >
~HarmonicCenterOfMassRestraintForce(void) noexceptHarmonicCenterOfMassRestraintForce< AT, CT >