arg_ders | PLMD::ReferenceConfiguration | protected |
atom_ders | PLMD::ReferenceConfiguration | protected |
calc(const std::vector< Vector > &pos, const Pbc &pbc, const std::vector< Value * > &vals, const std::vector< double > &arg, const bool &squared) | PLMD::FakeFrame | inlinevirtual |
calculate(const std::vector< Vector > &pos, const Pbc &pbc, const std::vector< Value * > &vals, const bool &squared=false) | PLMD::ReferenceConfiguration | |
checkRead() | PLMD::ReferenceConfiguration | |
clearDerivatives() | PLMD::ReferenceConfiguration | protected |
copyDerivatives(const ReferenceConfiguration *) | PLMD::ReferenceConfiguration | |
error(const std::string &msg) | PLMD::ReferenceConfiguration | protected |
FakeFrame(const ReferenceConfigurationOptions &ro) | PLMD::FakeFrame | inline |
getAbsoluteIndexes() | PLMD::ReferenceConfiguration | inlinevirtual |
getArgumentDerivative(const unsigned &) const | PLMD::ReferenceConfiguration | inline |
getArgumentNames() | PLMD::ReferenceConfiguration | inlinevirtual |
getArgumentRequests(std::vector< std::string > &, bool disable_checks=false) | PLMD::ReferenceConfiguration | inlinevirtual |
getAtomDerivative(const unsigned &) const | PLMD::ReferenceConfiguration | inline |
getAtomRequests(std::vector< AtomNumber > &, bool disable_checks=false) | PLMD::ReferenceConfiguration | inlinevirtual |
getName() const | PLMD::ReferenceConfiguration | |
getReferenceArgument(const unsigned &i) | PLMD::ReferenceConfiguration | inlinevirtual |
getReferenceArguments() | PLMD::ReferenceConfiguration | inlinevirtual |
getReferenceMetric() | PLMD::ReferenceConfiguration | inlinevirtual |
getReferencePositions() | PLMD::ReferenceConfiguration | inlinevirtual |
getVirial(Tensor &virout) const | PLMD::ReferenceConfiguration | |
getWeight() const | PLMD::ReferenceConfiguration | inline |
parse(const std::string &key, T &t, bool ignore_missing=false) | PLMD::ReferenceConfiguration | |
parseFlag(const std::string &key, bool &t) | PLMD::ReferenceConfiguration | |
parseVector(const std::string &key, std::vector< T > &t, bool ignore_missing=false) | PLMD::ReferenceConfiguration | |
print(OFile &ofile, const double &time, const double &weight, const double &old_norm) | PLMD::ReferenceConfiguration | |
print(OFile &ofile, const std::string &fmt) | PLMD::ReferenceConfiguration | |
read(const PDB &) | PLMD::FakeFrame | inlinevirtual |
ReferenceConfiguration(const ReferenceConfigurationOptions &ro) | PLMD::ReferenceConfiguration | |
set(const PDB &) | PLMD::ReferenceConfiguration | virtual |
setNamesAndAtomNumbers(const std::vector< AtomNumber > &numbers, const std::vector< std::string > &arg) | PLMD::ReferenceConfiguration | |
setNumberOfArguments(const unsigned &) | PLMD::ReferenceConfiguration | virtual |
setNumberOfAtoms(const unsigned &) | PLMD::ReferenceConfiguration | virtual |
setReferenceConfig(const std::vector< Vector > &pos, const std::vector< double > &arg, const std::vector< double > &metric) | PLMD::ReferenceConfiguration | |
setWeight(const double &ww) | PLMD::ReferenceConfiguration | inline |
virial | PLMD::ReferenceConfiguration | protected |
virialWasSet | PLMD::ReferenceConfiguration | protected |
~ReferenceConfiguration() | PLMD::ReferenceConfiguration | virtual |