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Gromacs
2026.0-dev-20251119-5f0a571d
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This is the complete list of members for gmx::QMMMOptions, including all inherited members.
| active() const | gmx::QMMMOptions | |
| buildMdpOutput(KeyValueTreeObjectBuilder *builder) const override | gmx::QMMMOptions | virtual |
| 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::QMMMOptions | virtual |
| initMdpTransform(IKeyValueTreeTransformRules *rules) override | gmx::QMMMOptions | virtual |
| logger() const | gmx::QMMMOptions | |
| modifyQMMMTopology(gmx_mtop_t *mtop) | gmx::QMMMOptions | |
| operator=(const IMdpOptionProvider &)=default (defined in gmx::IMdpOptionProvider) | gmx::IMdpOptionProvider | protected |
| operator=(IMdpOptionProvider &&) noexcept=default (defined in gmx::IMdpOptionProvider) | gmx::IMdpOptionProvider | protected |
| parameters() | gmx::QMMMOptions | |
| processCoordinates(const CoordinatesAndBoxPreprocessed &coord) | gmx::QMMMOptions | |
| processTprFilename(const MdRunInputFilename &tprFilename) | gmx::QMMMOptions | |
| readInternalParametersFromKvt(const KeyValueTreeObject &tree) | gmx::QMMMOptions | |
| setLogger(const MDLogger &logger) | gmx::QMMMOptions | |
| setQMExternalInputFile(const QMInputFileName &qmExternalInputFileName) | gmx::QMMMOptions | |
| setQMMMGroupIndices(const IndexGroupsAndNames &indexGroupsAndNames) | gmx::QMMMOptions | |
| setWarninp(WarningHandler *wi) | gmx::QMMMOptions | |
| writeInternalParametersToKvt(KeyValueTreeObjectBuilder treeBuilder) | gmx::QMMMOptions | |
| ~IMdpOptionProvider() (defined in gmx::IMdpOptionProvider) | gmx::IMdpOptionProvider | inlineprotectedvirtual |
1.8.5