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PLMD::ReferenceConfiguration Member List

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

arg_dersPLMD::ReferenceConfigurationprotected
atom_dersPLMD::ReferenceConfigurationprotected
calc(const std::vector< Vector > &pos, const Pbc &pbc, const std::vector< Value * > &vals, const std::vector< double > &args, const bool &squared)=0PLMD::ReferenceConfigurationpure virtual
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::ReferenceConfigurationprotected
copyDerivatives(const ReferenceConfiguration *)PLMD::ReferenceConfiguration
distance(const Pbc &pbc, const std::vector< Value * > &vals, ReferenceConfiguration *, ReferenceConfiguration *, const bool &squared)PLMD::ReferenceConfigurationfriend
error(const std::string &msg)PLMD::ReferenceConfigurationprotected
fake_arg_namesPLMD::ReferenceConfigurationprivate
fake_atom_numbersPLMD::ReferenceConfigurationprivate
fake_metricPLMD::ReferenceConfigurationprivate
fake_refargsPLMD::ReferenceConfigurationprivate
fake_refatomsPLMD::ReferenceConfigurationprivate
getAbsoluteIndexes()PLMD::ReferenceConfigurationinlinevirtual
getArgumentDerivative(const unsigned &) const PLMD::ReferenceConfigurationinline
getArgumentNames()PLMD::ReferenceConfigurationinlinevirtual
getArgumentRequests(std::vector< std::string > &, bool disable_checks=false)PLMD::ReferenceConfigurationinlinevirtual
getAtomDerivative(const unsigned &) const PLMD::ReferenceConfigurationinline
getAtomRequests(std::vector< AtomNumber > &, bool disable_checks=false)PLMD::ReferenceConfigurationinlinevirtual
getName() const PLMD::ReferenceConfiguration
getReferenceArgument(const unsigned &i)PLMD::ReferenceConfigurationinlinevirtual
getReferenceArguments()PLMD::ReferenceConfigurationinlinevirtual
getReferenceMetric()PLMD::ReferenceConfigurationinlinevirtual
getReferencePositions()PLMD::ReferenceConfigurationinlinevirtual
getVirial(Tensor &virout) const PLMD::ReferenceConfiguration
getWeight() const PLMD::ReferenceConfigurationinline
linePLMD::ReferenceConfigurationprivate
namePLMD::ReferenceConfigurationprivate
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 &)=0PLMD::ReferenceConfigurationpure virtual
ReferenceConfiguration(const ReferenceConfigurationOptions &ro)PLMD::ReferenceConfiguration
set(const PDB &)PLMD::ReferenceConfigurationvirtual
setNamesAndAtomNumbers(const std::vector< AtomNumber > &numbers, const std::vector< std::string > &arg)PLMD::ReferenceConfiguration
setNumberOfArguments(const unsigned &)PLMD::ReferenceConfigurationvirtual
setNumberOfAtoms(const unsigned &)PLMD::ReferenceConfigurationvirtual
setReferenceConfig(const std::vector< Vector > &pos, const std::vector< double > &arg, const std::vector< double > &metric)PLMD::ReferenceConfiguration
setWeight(const double &ww)PLMD::ReferenceConfigurationinline
SingleDomainRMSD classPLMD::ReferenceConfigurationfriend
tmpargPLMD::ReferenceConfigurationprivate
virialPLMD::ReferenceConfigurationprotected
virialWasSetPLMD::ReferenceConfigurationprotected
weightPLMD::ReferenceConfigurationprivate
~ReferenceConfiguration()PLMD::ReferenceConfigurationvirtual