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Searched refs:externalPotentialProvider (Results 1 – 5 of 5) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/
H A Dpull_params.h80 std::string externalPotentialProvider; member
H A Dinputrec.cpp476 PS("potential-provider", pcrd->externalPotentialProvider.c_str()); in pr_pull_coord()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/
H A Dreadpull.cpp157 if (pcrd->externalPotentialProvider[0] == '\0') in init_pull_coord()
355 pullCoord.externalPotentialProvider = gmx_strdup(provider); in read_pullparams()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/pulling/
H A Dpull.cpp1395 GMX_RELEASE_ASSERT(!pcrd->params.externalPotentialProvider.empty(), in register_external_pull_potential()
1398 if (gmx_strcasecmp(provider, pcrd->params.externalPotentialProvider.c_str()) != 0) in register_external_pull_potential()
1403 provider, coord_index + 1, pcrd->params.externalPotentialProvider.c_str()); in register_external_pull_potential()
1450 pull->coord[c].params.externalPotentialProvider.c_str()); in check_external_potential_registration()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/fileio/
H A Dtpxio.cpp308 pcrd->externalPotentialProvider = gmx_strdup(buf.c_str()); in do_pull_coord()
312 buf = pcrd->externalPotentialProvider; in do_pull_coord()
318 pcrd->externalPotentialProvider.clear(); in do_pull_coord()
325 pcrd->externalPotentialProvider.clear(); in do_pull_coord()