Lines Matching refs:nvsite_restraint
103 ng4x6, ng4x6_restraint, nhdist, nmolecule, nrep, nvsite, nvsite_restraint, offset local
188 gci%nvsite_restraint = 0
192 gci%nvsite_restraint + &
581 CALL setup_vsite_list(vsite_list, constr_x_mol(ii)%constr, cons_info, nvsite_restraint)
582 … CALL set_molecule_kind(molecule_kind, nvsite=nvsite, nvsite_restraint=nvsite_restraint, &
593 CALL setup_vsite_list(vsite_list, constr_x_glob, cons_info, nvsite_restraint)
596 gci%nvsite_restraint = nvsite_restraint
867 gci%nvsite_restraint + &
1049 SUBROUTINE setup_vsite_list(vsite_list, ilist, cons_info, nvsite_restraint) argument
1053 INTEGER, INTENT(OUT) :: nvsite_restraint local
1061 nvsite_restraint = 0
1073 IF (vsite_list(nvsite)%restraint%active) nvsite_restraint = nvsite_restraint + 1