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2025.4
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Gromacs
2025.4
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This is the complete list of members for gmx::NNPotTopologyPreprocessor, including all inherited members.
| addQMLJExclusions(gmx_mtop_t *mtop) (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | protected |
| atomCharges() const (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | |
| atomNumbers() const (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | |
| buildQMMMAtomNumbers(gmx_mtop_t *mtop) (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | protected |
| buildQMMMLink(gmx_mtop_t *mtop) (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | protected |
| isQMAtom(Index globalAtomIndex) (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | protected |
| linkFrontier() const (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | |
| modifyQMMMFourCenterInteractions(gmx_mtop_t *mtop) (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | protected |
| modifyQMMMThreeCenterInteractions(gmx_mtop_t *mtop) (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | protected |
| modifyQMMMTwoCenterInteractions(gmx_mtop_t *mtop) (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | protected |
| modifyQMMMVirtualSites(gmx_mtop_t *mtop) (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | protected |
| NNPotTopologyPreprocessor(ArrayRef< const Index > inputIndices) | gmx::NNPotTopologyPreprocessor | |
| preprocess(gmx_mtop_t *mtop) | gmx::NNPotTopologyPreprocessor | |
| QMMMTopologyPreprocessor(ArrayRef< const Index > qmIndices) (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | |
| removeQMClassicalCharges(gmx_mtop_t *mtop) (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | protected |
| splitQMblocks(gmx_mtop_t *mtop) (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor | protected |
| topInfo() const (defined in gmx::QMMMTopologyPreprocessor) | gmx::QMMMTopologyPreprocessor |
1.8.5