Searched refs:num_solvent (Results 1 – 2 of 2) sorted by relevance
1124 num_solvent = 0; in eng1_sf()1156 if (num_solvent != 0) in eng1_sf()1191 num_solvent++; in eng1_sf()1195 if (use_explicit_solvent && num_solvent == 0) in eng1_sf()1288 vdwr1[n1] = new f64[GetSetup()->GetSFAtomCount() - num_solvent]; in eng1_sf()2377 dist1 = new i32s[GetSetup()->GetSFAtomCount() - num_solvent]; in eng1_sf()2378 …ist2 = new f64[(GetSetup()->GetSFAtomCount() - num_solvent) * ((GetSetup()->GetSFAtomCount() - num… in eng1_sf()2381 while (n2 < GetSetup()->GetSFAtomCount() - num_solvent) in eng1_sf()2384 n1 += (GetSetup()->GetSFAtomCount() - num_solvent) - n2; in eng1_sf()3998 i32s limit = GetSetup()->GetSFAtomCount() - num_solvent; in ComputeNBT1()[all …]
665 i32s num_solvent; variable