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Gromacs
2026.0-dev-20251119-5f0a571d
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This is the complete list of members for PreprocessingAtomTypes, including all inherited members.
| addType(const t_atom &a, const std::string &name, const InteractionOfType &nb, int bondAtomType, int atomNumber) | PreprocessingAtomTypes | |
| atomChargeFromAtomType(int nt) const | PreprocessingAtomTypes | |
| atomMassFromAtomType(int nt) const | PreprocessingAtomTypes | |
| atomNameFromAtomType(int nt) const | PreprocessingAtomTypes | |
| atomNonBondedParamFromAtomType(int nt, int param) const | PreprocessingAtomTypes | |
| atomNumberFromAtomType(int nt) const | PreprocessingAtomTypes | |
| atomParticleTypeFromAtomType(int nt) const | PreprocessingAtomTypes | |
| atomTypeFromName(const std::string &str) const | PreprocessingAtomTypes | |
| bondAtomTypeFromAtomType(int nt) const | PreprocessingAtomTypes | |
| isSet(int nt) const | PreprocessingAtomTypes | |
| operator=(PreprocessingAtomTypes &&old) noexcept | PreprocessingAtomTypes | |
| PreprocessingAtomTypes() (defined in PreprocessingAtomTypes) | PreprocessingAtomTypes | |
| PreprocessingAtomTypes(PreprocessingAtomTypes &&old) noexcept | PreprocessingAtomTypes | |
| renumberTypes(gmx::EnumerationArray< InteractionFunction, InteractionsOfType > &plist, gmx_mtop_t *mtop, int *wallAtomType, bool verbose) | PreprocessingAtomTypes | |
| setType(int nt, const t_atom &a, const std::string &name, const InteractionOfType &nb, int bondAtomType, int atomNumber) | PreprocessingAtomTypes | |
| size() const | PreprocessingAtomTypes | |
| ~PreprocessingAtomTypes() (defined in PreprocessingAtomTypes) | PreprocessingAtomTypes |
1.8.5