apoCHARMM 1.0.0
High-performance molecular dynamics simulations on GPUs
 
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CharmmPSF Member List

This is the complete list of members for CharmmPSF, including all inherited members.

CharmmPSF(void)CharmmPSF
CharmmPSF(const std::filesystem::path &filePath)CharmmPSF
CharmmPSF(const CharmmPSF &other)CharmmPSF
CharmmPSF(const CharmmPSF &&other)CharmmPSF
getAngles(void) constCharmmPSF
getAngles(void)CharmmPSF
getAtomNames(void) constCharmmPSF
getAtomNames(void)CharmmPSF
getAtomTypes(void) constCharmmPSF
getAtomTypes(void)CharmmPSF
getBonds(void) constCharmmPSF
getBonds(void)CharmmPSF
getCharges(void) constCharmmPSF
getCharges(void)CharmmPSF
getConnected12(void) constCharmmPSF
getConnected12(void)CharmmPSF
getConnected13(void) constCharmmPSF
getConnected13(void)CharmmPSF
getConnected14(void) constCharmmPSF
getConnected14(void)CharmmPSF
getCrossTerms(void) constCharmmPSF
getCrossTerms(void)CharmmPSF
getDihedrals(void) constCharmmPSF
getDihedrals(void)CharmmPSF
getFilePath(void) constCharmmPSF
getFilePath(void)CharmmPSF
getGroups(void) constCharmmPSF
getGroups(void)CharmmPSF
getIblo14(void) constCharmmPSF
getIblo14(void)CharmmPSF
getImpropers(void) constCharmmPSF
getImpropers(void)CharmmPSF
getInb14(void) constCharmmPSF
getInb14(void)CharmmPSF
getInclusionExclusionLists(void) constCharmmPSF
getMasses(void) constCharmmPSF
getMasses(void)CharmmPSF
getNetCharge(void) constCharmmPSF
getNumAngles(void) constCharmmPSF
getNumAtoms(void) constCharmmPSF
getNumBonds(void) constCharmmPSF
getNumCrossTerms(void) constCharmmPSF
getNumDihedrals(void) constCharmmPSF
getNumImpropers(void) constCharmmPSF
getResidueIdentifiers(void) constCharmmPSF
getResidueIdentifiers(void)CharmmPSF
getResidueNames(void) constCharmmPSF
getResidueNames(void)CharmmPSF
getResidues(void) constCharmmPSF
getResidues(void)CharmmPSF
getSegmentIdentifiers(void) constCharmmPSF
getSegmentIdentifiers(void)CharmmPSF
getTotalMass(void) constCharmmPSF
getWaterMolecules(void) constCharmmPSF
getWaterMolecules(void)CharmmPSF
setAtomCharges(const std::vector< double > &charges)CharmmPSF
setNumAtoms(const int numAtoms)CharmmPSF