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

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

calcForce(const float4 *xyzq, const bool calcEnergy, const bool calcVirial)HarmonicRestraintForce< AT, CT >
clear(void)HarmonicRestraintForce< AT, CT >
contributesVirialHarmonicRestraintForce< AT, CT >static
getEnergyVirial(void)HarmonicRestraintForce< AT, CT >
getForce(void)HarmonicRestraintForce< AT, CT >
getStream(void)HarmonicRestraintForce< AT, CT >
HarmonicRestraintForce(void)=deleteHarmonicRestraintForce< AT, CT >
HarmonicRestraintForce(const int numAtoms)HarmonicRestraintForce< AT, CT >
initialize(const int numAtoms, const std::vector< double > &boxDimensions)HarmonicRestraintForce< AT, CT >
setBoxDimensions(const std::vector< double > &boxDimensions)HarmonicRestraintForce< AT, CT >
setForceConstant(const double forceConstant)HarmonicRestraintForce< AT, CT >
setForceConstants(const std::vector< double > &forceConstants)HarmonicRestraintForce< AT, CT >
setMasses(const std::vector< double > &masses)HarmonicRestraintForce< AT, CT >
setReferenceCoordinates(const std::vector< double3 > &referenceCoordinates)HarmonicRestraintForce< AT, CT >
setReferenceCoordinates(const std::vector< std::vector< double > > &referenceCoordinates)HarmonicRestraintForce< AT, CT >
setSelection(const AtomSelection &selection)HarmonicRestraintForce< AT, CT >
~HarmonicRestraintForce(void) noexceptHarmonicRestraintForce< AT, CT >