calcDistanceFromConfiguration(const unsigned &ifunc, const std::vector< Vector > &pos, const Pbc &pbc, const std::vector< Value * > &arg, ReferenceValuePack &myder, const bool &squared) const | PLMD::MultiReferenceBase | inline |
calculateAllDistances(const Pbc &pbc, const std::vector< Value * > &vals, Communicator &comm, Matrix< double > &distances, const bool &squared) | PLMD::MultiReferenceBase | |
clearFrames() | PLMD::MultiReferenceBase | |
clearRestOfData() | PLMD::PointWiseMapping | virtual |
copyFrame(ReferenceConfiguration *frameToCopy) | PLMD::MultiReferenceBase | |
copyFrameDerivatives(const unsigned &from, const unsigned &to) | PLMD::PointWiseMapping | inline |
dmat | PLMD::PointWiseMapping | private |
duplicateFrameList() | PLMD::PointWiseMapping | |
frames | PLMD::MultiReferenceBase | protected |
getAtomAndArgumentRequirements(std::vector< AtomNumber > &atoms, std::vector< std::string > &args) | PLMD::MultiReferenceBase | |
getFrame(const unsigned &iframe) | PLMD::MultiReferenceBase | inline |
getNumberOfMappedPoints() const | PLMD::PointWiseMapping | inline |
getNumberOfProperties() const | PLMD::PointWiseMapping | inline |
getNumberOfReferenceFrames() const | PLMD::MultiReferenceBase | inline |
getProjectionCoordinate(const unsigned &iframe, const unsigned &jcoord) const | PLMD::PointWiseMapping | inline |
getPropertyIndex(const std::string &name) const | PLMD::PointWiseMapping | |
getPropertyName(const unsigned &i) const | PLMD::PointWiseMapping | inline |
getPropertyValue(const unsigned &iframe, const unsigned &jprop) const | PLMD::PointWiseMapping | inline |
getWeight(const unsigned &ifram) const | PLMD::MultiReferenceBase | inline |
ispath | PLMD::PointWiseMapping | private |
low_dim | PLMD::PointWiseMapping | private |
mappingNeedsSetup() const | PLMD::PointWiseMapping | inline |
modifyDmat() | PLMD::PointWiseMapping | inline |
MultiReferenceBase(const std::string &type, const bool &checksoff) | PLMD::MultiReferenceBase | |
parse(const std::string &key, T &val) | PLMD::MultiReferenceBase | protected |
PointWiseMapping(const std::string &type, const bool &checksoff) | PLMD::PointWiseMapping | |
print(const std::string &method, const double &time, OFile &afile, const std::string &fmt, const double &lunits) | PLMD::PointWiseMapping | |
property | PLMD::PointWiseMapping | private |
readFrame(PDB &pdb) | PLMD::MultiReferenceBase | |
readRestOfFrame() | PLMD::PointWiseMapping | virtual |
resizeRestOfFrame() | PLMD::PointWiseMapping | virtual |
setProjectionCoordinate(const unsigned &iframe, const unsigned &jcoord, const double &coord) | PLMD::PointWiseMapping | inline |
setPropertyNames(const std::vector< std::string > &prop, const bool isp) | PLMD::PointWiseMapping | |
setWeights(const std::vector< double > &ww) | PLMD::MultiReferenceBase | |
~MultiReferenceBase() | PLMD::MultiReferenceBase | virtual |