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gmx::ColvarsForceProvider Member List

This is the complete list of members for gmx::ColvarsForceProvider, including all inherited members.

add_energy(cvm::real energy) overridegmx::ColvarsForceProvider
addVirialTerm(matrix vir, const rvec &f, const gmx::RVec &x)gmx::ColvarsForceProviderstatic
backup_file(char const *filename) overridegmx::ColvarProxyGromacs
calculateForces(const ForceProviderInput &forceProviderInput, ForceProviderOutput *forceProviderOutput) overridegmx::ColvarsForceProvidervirtual
check_atom_id(int atomNumber) overridegmx::ColvarProxyGromacs
ColvarProxyGromacs(const std::string &colvarsConfigString, t_atoms atoms, PbcType pbcType, const MDLogger *logger, bool doParsing, const std::map< std::string, std::string > &inputStrings, real ensembleTemperature, int seed)gmx::ColvarProxyGromacs
ColvarsForceProvider(const std::string &colvarsConfigString, t_atoms atoms, PbcType pbcType, const MDLogger *logger, const std::map< std::string, std::string > &inputStrings, real ensembleTemperature, int seed, LocalAtomSetManager *localAtomSetManager, const t_commrec *cr, const gmx_multisim_t *ms, double simulationTimeStep, const std::vector< RVec > &colvarsCoords, const std::string &outputPrefix, const ColvarsForceProviderState &state)gmx::ColvarsForceProvider
cvm::atom (defined in gmx::ColvarsForceProvider)gmx::ColvarsForceProviderfriend
doParsing_gmx::ColvarProxyGromacsprotected
error(std::string const &message) overridegmx::ColvarProxyGromacs
gmxAtoms_gmx::ColvarProxyGromacsprotected
gmxPbc_ (defined in gmx::ColvarProxyGromacs)gmx::ColvarProxyGromacsprotected
init_atom(int atomNumber) overridegmx::ColvarProxyGromacs
log(std::string const &message) overridegmx::ColvarProxyGromacs
logger_ (defined in gmx::ColvarProxyGromacs)gmx::ColvarProxyGromacsprotected
normalDistribution_ (defined in gmx::ColvarProxyGromacs)gmx::ColvarProxyGromacsprotected
pbcType_gmx::ColvarProxyGromacsprotected
position_distance(cvm::atom_pos const &pos1, cvm::atom_pos const &pos2) const overridegmx::ColvarProxyGromacs
processAtomsRedistributedSignal(const MDModulesAtomsRedistributedSignal &atomsRedistributedSignal)gmx::ColvarsForceProvider
rand_gaussian() overridegmx::ColvarProxyGromacs
rng_ (defined in gmx::ColvarProxyGromacs)gmx::ColvarProxyGromacsprotected
set_unit_system(std::string const &unitsIn, bool colvarsDefined) overridegmx::ColvarProxyGromacs
updateAtomProperties(int index)gmx::ColvarProxyGromacs
writeCheckpointData(MDModulesWriteCheckpointData checkpointWriting, const std::string &moduleName)gmx::ColvarsForceProvider
~ColvarProxyGromacs() override (defined in gmx::ColvarProxyGromacs)gmx::ColvarProxyGromacs
~ColvarsForceProvider() override (defined in gmx::ColvarsForceProvider)gmx::ColvarsForceProvider
~IForceProvider() (defined in gmx::IForceProvider)gmx::IForceProviderinlineprotected