Searched refs:bd_2b (Results 1 – 1 of 1) sorted by relevance
| /dports/science/gromacs/gromacs-2021.4/src/gromacs/domdec/ |
| H A D | domdec_topology.cpp | 1835 bonded_distance_t* bd_2b, in bonded_cg_distance_mol() argument
1859 (nral == 2) ? bd_2b : bd_mb); in bonded_cg_distance_mol()
1879 update_max_bonded_distance(rij2, -1, ai, aj, bd_2b); in bonded_cg_distance_mol()
1892 bonded_distance_t* bd_2b, in bonded_distance_intermol() argument
1926 … update_max_bonded_distance(rij2, ftype, atom_i, atom_j, (nral == 2) ? bd_2b : bd_mb); in bonded_distance_intermol()
2002 bonded_distance_t bd_2b = { 0, -1, -1, -1 }; in dd_bonded_cg_distance() local
2038 at_offset + bd_mol_2b.a2, &bd_2b); in dd_bonded_cg_distance()
2052 …bonded_distance_intermol(*mtop->intermolecular_ilist, bBCheck, x, ir->pbcType, box, &bd_2b, &bd_mb… in dd_bonded_cg_distance()
2055 *r_2b = sqrt(bd_2b.r2); in dd_bonded_cg_distance()
2066 … (bd_2b.ftype >= 0) ? interaction_function[bd_2b.ftype].longname : "Exclusion", in dd_bonded_cg_distance()
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