Gromacs
2024.2
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This is the complete list of members for gmx::ColvarsForceProvider, including all inherited members.
add_energy(cvm::real energy) override | gmx::ColvarsForceProvider | |
addVirialTerm(matrix vir, const rvec &f, const gmx::RVec &x) | gmx::ColvarsForceProvider | static |
backup_file(char const *filename) override | gmx::ColvarProxyGromacs | |
calculateForces(const ForceProviderInput &forceProviderInput, ForceProviderOutput *forceProviderOutput) override | gmx::ColvarsForceProvider | virtual |
check_atom_id(int atomNumber) override | gmx::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, double simulationTimeStep, const std::vector< RVec > &colvarsCoords, const std::string &outputPrefix, const ColvarsForceProviderState &state) | gmx::ColvarsForceProvider | |
cvm::atom (defined in gmx::ColvarsForceProvider) | gmx::ColvarsForceProvider | friend |
doParsing_ | gmx::ColvarProxyGromacs | protected |
error(std::string const &message) override | gmx::ColvarProxyGromacs | |
gmxAtoms_ | gmx::ColvarProxyGromacs | protected |
gmxPbc_ (defined in gmx::ColvarProxyGromacs) | gmx::ColvarProxyGromacs | protected |
init_atom(int atomNumber) override | gmx::ColvarProxyGromacs | |
log(std::string const &message) override | gmx::ColvarProxyGromacs | |
logger_ (defined in gmx::ColvarProxyGromacs) | gmx::ColvarProxyGromacs | protected |
normalDistribution_ (defined in gmx::ColvarProxyGromacs) | gmx::ColvarProxyGromacs | protected |
pbcType_ | gmx::ColvarProxyGromacs | protected |
position_distance(cvm::atom_pos const &pos1, cvm::atom_pos const &pos2) const override | gmx::ColvarProxyGromacs | |
processAtomsRedistributedSignal(const MDModulesAtomsRedistributedSignal &atomsRedistributedSignal) | gmx::ColvarsForceProvider | |
rand_gaussian() override | gmx::ColvarProxyGromacs | |
rng_ (defined in gmx::ColvarProxyGromacs) | gmx::ColvarProxyGromacs | protected |
set_unit_system(std::string const &unitsIn, bool colvarsDefined) override | gmx::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::IForceProvider | inlineprotected |