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Searched refs:ebtsNR (Results 1 – 6 of 6) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/
H A Dter_db.cpp66 #define ekwRepl (ebtsNR + 1)
67 #define ekwAdd (ebtsNR + 2)
68 #define ekwDel (ebtsNR + 3)
76 for (i = 0; i < ebtsNR; i++) in find_kw()
87 return ebtsNR + 1 + i; in find_kw()
172 fprintf(out, "[ %s ]\n", kw_names[ekwRepl - ebtsNR - 1]); in print_ter_db()
185 fprintf(out, "[ %s ]\n", kw_names[ekwAdd - ebtsNR - 1]); in print_ter_db()
198 fprintf(out, "[ %s ]\n", kw_names[ekwDel - ebtsNR - 1]); in print_ter_db()
207 for (int bt = 0; bt < ebtsNR; bt++) in print_ter_db()
278 if (kwnr >= ebtsNR) in read_ter_db_file()
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H A Dhackblock.h75 ebtsNR enumerator
78 extern const char* btsNames[ebtsNR];
80 extern const int btsNiatoms[ebtsNR];
148 std::array<BondedInteractionList, ebtsNR> rb;
226 std::array<BondedInteractionList, ebtsNR> rb;
H A Dhackblock.cpp59 const char* btsNames[ebtsNR] = { "bonds", "angles", "dihedrals", "impropers", "exclusions", "cmap" …
60 const int btsNiatoms[ebtsNR] = { 2, 3, 4, 4, 2, 5 };
86 for (int i = 0; i < ebtsNR; i++) in clearModificationBlock()
155 for (int i = 0; i < ebtsNR; i++) in mergeBondedInteractionList()
240 for (int i = 0; i < ebtsNR; i++) in copyPreprocessResidues()
267 for (int i = 0; i < ebtsNR; i++) in copyModificationBlocks()
H A Dresall.cpp236 for (i = 0; i < ebtsNR; i++) in get_bt()
294 for (int bt = 0; bt < ebtsNR; bt++) in print_resall()
H A Dpdb2top.cpp934 for (int i = 0; i < ebtsNR; i++) in check_restp_types()
1512 int bts[ebtsNR]; in pdb2top()
1626 for (i = 0; i < ebtsNR; i++) in pdb2top()
H A Dgen_ad.cpp608 for (int j = 0; j < ebtsNR; j++) in gen_pad()