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PLMD::PointWiseMapping Member List

This is the complete list of members for PLMD::PointWiseMapping, including all inherited members.

calcDistanceFromConfiguration(const unsigned &ifunc, const std::vector< Vector > &pos, const Pbc &pbc, const std::vector< Value * > &arg, const bool &squared)PLMD::MultiReferenceBaseinline
calculateAllDistances(const Pbc &pbc, const std::vector< Value * > &vals, Communicator &comm, Matrix< double > &distances, const bool &squared)PLMD::MultiReferenceBase
clearFrames()PLMD::MultiReferenceBase
clearRestOfData()PLMD::PointWiseMappingvirtual
copyFrame(ReferenceConfiguration *frameToCopy)PLMD::MultiReferenceBase
copyFrameDerivatives(const unsigned &from, const unsigned &to)PLMD::PointWiseMappinginline
dmatPLMD::PointWiseMappingprivate
duplicateFrameList()PLMD::PointWiseMapping
framesPLMD::MultiReferenceBaseprotected
getArgumentDerivative(const unsigned &iframe, const unsigned &jarg)PLMD::PointWiseMappinginline
getAtomAndArgumentRequirements(std::vector< AtomNumber > &atoms, std::vector< std::string > &args)PLMD::PointWiseMapping
getAtomDerivatives(const unsigned &iframe, const unsigned &jatom)PLMD::PointWiseMappinginline
getFrame(const unsigned &iframe)PLMD::MultiReferenceBaseinline
getNumberOfMappedPoints() const PLMD::PointWiseMappinginline
getNumberOfProperties() const PLMD::PointWiseMappinginline
getNumberOfReferenceFrames() const PLMD::MultiReferenceBaseinline
getProjectionCoordinate(const unsigned &iframe, const unsigned &jcoord) const PLMD::PointWiseMappinginline
getPropertyIndex(const std::string &name) const PLMD::PointWiseMapping
getPropertyName(const unsigned &i) const PLMD::PointWiseMappinginline
getPropertyValue(const unsigned &iframe, const unsigned &jprop) const PLMD::PointWiseMappinginline
getVirial(const unsigned &iframe, Tensor &vir)PLMD::PointWiseMappinginline
getWeight(const unsigned &ifram) const PLMD::MultiReferenceBaseinline
ispathPLMD::PointWiseMappingprivate
low_dimPLMD::PointWiseMappingprivate
mappingNeedsSetup() const PLMD::PointWiseMappinginline
modifyDmat()PLMD::PointWiseMappinginline
MultiReferenceBase(const std::string &type, const bool &checksoff)PLMD::MultiReferenceBase
parse(const std::string &key, T &val)PLMD::MultiReferenceBaseprotected
PointWiseMapping(const std::string &type, const bool &checksoff)PLMD::PointWiseMapping
print(const std::string &method, const double &time, OFile &afile, const std::string &fmt)PLMD::PointWiseMapping
propertyPLMD::PointWiseMappingprivate
readFrame(PDB &pdb)PLMD::MultiReferenceBase
readRestOfFrame()PLMD::PointWiseMappingvirtual
resizeRestOfFrame()PLMD::PointWiseMappingvirtual
setNumberOfAtomsAndArguments(const unsigned &natoms, const unsigned &nargs)PLMD::PointWiseMapping
setProjectionCoordinate(const unsigned &iframe, const unsigned &jcoord, const double &coord)PLMD::PointWiseMappinginline
setPropertyNames(const std::vector< std::string > &prop, const bool isp)PLMD::PointWiseMapping
setWeights(const std::vector< double > &ww)PLMD::MultiReferenceBase
~MultiReferenceBase()PLMD::MultiReferenceBasevirtual