Searched refs:ffsel (Results 1 – 2 of 2) sorted by relevance
| /dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/ |
| H A D | pdb2top.cpp | 138 static void choose_ff_impl(const char* ffsel, in choose_ff_impl() argument
165 if (ffsel != nullptr) in choose_ff_impl()
172 if (ffs[i] == ffsel) in choose_ff_impl()
200 ffsel, nfound); in choose_ff_impl()
209 ffsel, nfound); in choose_ff_impl()
218 ffsel); in choose_ff_impl()
354 void choose_ff(const char* ffsel, char* forcefield, int ff_maxlen, char* ffdir, int ffdir_maxlen, c… in choose_ff() argument
358 choose_ff_impl(ffsel, forcefield, ff_maxlen, ffdir, ffdir_maxlen, logger); in choose_ff()
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| H A D | pdb2top.h | 78 void choose_ff(const char* ffsel,
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