| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | constraint.F | 116 nconstraint, nkind, nmol_per_kind, & local
243 nconstraint, nkind, nmol_per_kind local
365 n3x3con, n4x6con, nconstraint, nkind, nmol_per_kind, nvsitecon local
511 n3x3con, n4x6con, nconstraint, nkind, nmol_per_kind local
861 nmol_per_kind local
|
| H A D | constraint_vsite.F | 54 nmol_per_kind, nvsitecon local
|
| H A D | constraint_util.F | 74 n4x6con, nkind, nmol_per_kind local
214 ng4x6, nkind, nmol_per_kind local
|
| H A D | fist_intra_force.F | 108 nmol_per_kind, nopbends, nshell, ntorsions, nub local
|
| H A D | colvar_utils.F | 204 nkind, nmol_per_kind, offset local
|
| H A D | restraint.F | 75 nmol_per_kind local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | constraint.F | 116 nconstraint, nkind, nmol_per_kind, & local
243 nconstraint, nkind, nmol_per_kind local
365 n3x3con, n4x6con, nconstraint, nkind, nmol_per_kind, nvsitecon local
511 n3x3con, n4x6con, nconstraint, nkind, nmol_per_kind local
861 nmol_per_kind local
|
| H A D | constraint_vsite.F | 54 nmol_per_kind, nvsitecon local
|
| H A D | constraint_util.F | 74 n4x6con, nkind, nmol_per_kind local
214 ng4x6, nkind, nmol_per_kind local
|
| H A D | fist_intra_force.F | 108 nmol_per_kind, nopbends, nshell, ntorsions, nub local
|
| H A D | colvar_utils.F | 204 nkind, nmol_per_kind, offset local
|
| H A D | restraint.F | 75 nmol_per_kind local
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/thermostat/ |
| H A D | thermostat_mapping.F | 403 last_atom, natom, nc, nfixd, nkind, nmol_per_kind, nmolecule, nshell local
835 imol_local, j, jatm, katom, last_atom, natom, nc, nfixd, nkind, nmol_per_kind, nmolecule, & local
1108 nmol_per_kind, nshell, num_massive_atm, num_massive_atm_local, offset local
|
| H A D | thermostat_utils.F | 254 last_atom, natom, natom_local, nkind, nmol_local, nmol_per_kind, nmolecule, nshell, & local
725 natom_local, nmol_per_kind, nregions, output_unit local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/thermostat/ |
| H A D | thermostat_mapping.F | 403 last_atom, natom, nc, nfixd, nkind, nmol_per_kind, nmolecule, nshell local
835 imol_local, j, jatm, katom, last_atom, natom, nc, nfixd, nkind, nmol_per_kind, nmolecule, & local
1108 nmol_per_kind, nshell, num_massive_atm, num_massive_atm_local, offset local
|
| H A D | thermostat_utils.F | 254 last_atom, natom, natom_local, nkind, nmol_local, nmol_per_kind, nmolecule, nshell, & local
725 natom_local, nmol_per_kind, nregions, output_unit local
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
| H A D | reftraj_util.F | 330 natom_kind, nmol_per_kind, nmolecule, nmolkind, num_pe local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
| H A D | reftraj_util.F | 330 natom_kind, nmol_per_kind, nmolecule, nmolkind, num_pe local
|