PLMD::ReferenceConfiguration Member List

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

calc(const std::vector< Vector > &pos, const Pbc &pbc, const std::vector< Value * > &vals, const std::vector< double > &args, ReferenceValuePack &myder, const bool &squared) const =0PLMD::ReferenceConfigurationpure virtual
calculate(const std::vector< Vector > &pos, const Pbc &pbc, const std::vector< Value * > &vals, ReferenceValuePack &myder, const bool &squared=false) constPLMD::ReferenceConfiguration
copyDerivatives(const ReferenceConfiguration *)PLMD::ReferenceConfiguration
displaceReferenceConfiguration(const double &weight, Direction &dir)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
extractDisplacementVector(const std::vector< Vector > &pos, const std::vector< Value * > &vals, const std::vector< double > &arg, const bool &nflag, Direction &mydir) constPLMD::ReferenceConfiguration
fake_arg_namesPLMD::ReferenceConfigurationprivate
fake_atom_numbersPLMD::ReferenceConfigurationprivate
fake_metricPLMD::ReferenceConfigurationprivate
fake_refargsPLMD::ReferenceConfigurationprivate
fake_refatomsPLMD::ReferenceConfigurationprivate
getAbsoluteIndexes()PLMD::ReferenceConfigurationinlinevirtual
getArgumentNames()PLMD::ReferenceConfigurationinlinevirtual
getArgumentRequests(std::vector< std::string > &, bool disable_checks=false)PLMD::ReferenceConfigurationinlinevirtual
getAtomRequests(std::vector< AtomNumber > &, bool disable_checks=false)PLMD::ReferenceConfigurationinlinevirtual
getName() constPLMD::ReferenceConfiguration
getNumberOfReferenceArguments() constPLMD::ReferenceConfigurationinlinevirtual
getNumberOfReferencePositions() constPLMD::ReferenceConfigurationinlinevirtual
getReferenceArgument(const unsigned &i) constPLMD::ReferenceConfigurationinlinevirtual
getReferenceArguments() constPLMD::ReferenceConfigurationinlinevirtual
getReferenceMetric()PLMD::ReferenceConfigurationinlinevirtual
getReferencePositions() constPLMD::ReferenceConfigurationinlinevirtual
linePLMD::ReferenceConfigurationprivate
namePLMD::ReferenceConfigurationprivate
pcaIsEnabledForThisReference()PLMD::ReferenceConfigurationinlinevirtual
projectDisplacementOnVector(const Direction &mydir, const std::vector< Value * > &vals, const std::vector< double > &arg, ReferenceValuePack &mypack) constPLMD::ReferenceConfiguration
read(const PDB &)=0PLMD::ReferenceConfigurationpure virtual
ReferenceConfiguration(const ReferenceConfigurationOptions &ro)PLMD::ReferenceConfigurationexplicit
setupPCAStorage(ReferenceValuePack &mypack)PLMD::ReferenceConfigurationinlinevirtual
SingleDomainRMSD classPLMD::ReferenceConfigurationfriend
~ReferenceConfiguration()PLMD::ReferenceConfigurationvirtual