Gromacs
2026.0-dev-20250618-b7f4e2e
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This is the complete list of members for gmx::ColvarsOptions, including all inherited members.
buildMdpOutput(KeyValueTreeObjectBuilder *builder) const override | gmx::ColvarsOptions | virtual |
colvarsAtomCoords() const | gmx::ColvarsOptions | |
colvarsConfigContent() const | gmx::ColvarsOptions | |
colvarsEnsTemp() const | gmx::ColvarsOptions | |
colvarsFileName() const | gmx::ColvarsOptions | |
colvarsInputFiles() const | gmx::ColvarsOptions | |
colvarsOutputPrefix() const | gmx::ColvarsOptions | |
colvarsSeed() const | gmx::ColvarsOptions | |
IMdpOptionProvider()=default | gmx::IMdpOptionProvider | protected |
IMdpOptionProvider(const IMdpOptionProvider &)=default (defined in gmx::IMdpOptionProvider) | gmx::IMdpOptionProvider | protected |
IMdpOptionProvider(IMdpOptionProvider &&) noexcept=default (defined in gmx::IMdpOptionProvider) | gmx::IMdpOptionProvider | protected |
initMdpOptions(IOptionsContainerWithSections *options) override | gmx::ColvarsOptions | virtual |
initMdpTransform(IKeyValueTreeTransformRules *rules) override | gmx::ColvarsOptions | virtual |
isActive() const | gmx::ColvarsOptions | |
logger() const | gmx::ColvarsOptions | |
operator=(const IMdpOptionProvider &)=default (defined in gmx::IMdpOptionProvider) | gmx::IMdpOptionProvider | protected |
operator=(IMdpOptionProvider &&) noexcept=default (defined in gmx::IMdpOptionProvider) | gmx::IMdpOptionProvider | protected |
processCoordinates(const CoordinatesAndBoxPreprocessed &coord) | gmx::ColvarsOptions | |
processEdrFilename(const EdrOutputFilename &filename) | gmx::ColvarsOptions | |
processTemperature(const EnsembleTemperature &temp) | gmx::ColvarsOptions | |
processTopology(gmx_mtop_t *mtop) | gmx::ColvarsOptions | |
readInternalParametersFromKvt(const KeyValueTreeObject &tree) | gmx::ColvarsOptions | |
setLogger(const MDLogger &logger) | gmx::ColvarsOptions | |
setParameters(const std::string &colvarsfile, const t_atoms &topology, ArrayRef< const RVec > coords, PbcType pbcType, const matrix boxValues, real temperature) | gmx::ColvarsOptions | |
writeInternalParametersToKvt(KeyValueTreeObjectBuilder treeBuilder) | gmx::ColvarsOptions | |
~IMdpOptionProvider() (defined in gmx::IMdpOptionProvider) | gmx::IMdpOptionProvider | inlineprotectedvirtual |