| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | constraint.F | 147 ng3x3=n3x3con, ng4x6=n4x6con, &
156 IF (n3x3con /= 0) &
281 IF (n3x3con /= 0) &
365 n3x3con, n4x6con, nconstraint, nkind, nmol_per_kind, nvsitecon local
406 ng3x3=n3x3con, ng4x6=n4x6con, &
415 IF (n3x3con /= 0) &
511 n3x3con, n4x6con, nconstraint, nkind, nmol_per_kind local
554 ng3x3=n3x3con, ng4x6=n4x6con, &
563 IF (n3x3con /= 0) &
657 ng3x3=n3x3con, &
[all …]
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| H A D | constraint_util.F | 73 INTEGER :: first_atom, i, ikind, imol, n3x3con, & local
95 CALL get_molecule_kind(molecule_kind, ng3x3=n3x3con, ng4x6=n4x6con, &
102 CALL getold_low(n3x3con, n4x6con, colv_list, g3x3_list, g4x6_list, fixd_list, &
108 n3x3con = gci%ng3x3
117 CALL getold_low(n3x3con, n4x6con, colv_list, g3x3_list, g4x6_list, fixd_list, &
139 SUBROUTINE getold_low(n3x3con, n4x6con, colv_list, g3x3_list, g4x6_list, fixd_list, & argument
142 INTEGER, INTENT(IN) :: n3x3con, n4x6con local
166 DO iconst = 1, n3x3con
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | constraint.F | 147 ng3x3=n3x3con, ng4x6=n4x6con, &
156 IF (n3x3con /= 0) &
281 IF (n3x3con /= 0) &
365 n3x3con, n4x6con, nconstraint, nkind, nmol_per_kind, nvsitecon local
406 ng3x3=n3x3con, ng4x6=n4x6con, &
415 IF (n3x3con /= 0) &
511 n3x3con, n4x6con, nconstraint, nkind, nmol_per_kind local
554 ng3x3=n3x3con, ng4x6=n4x6con, &
563 IF (n3x3con /= 0) &
657 ng3x3=n3x3con, &
[all …]
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| H A D | constraint_util.F | 73 INTEGER :: first_atom, i, ikind, imol, n3x3con, & local
95 CALL get_molecule_kind(molecule_kind, ng3x3=n3x3con, ng4x6=n4x6con, &
102 CALL getold_low(n3x3con, n4x6con, colv_list, g3x3_list, g4x6_list, fixd_list, &
108 n3x3con = gci%ng3x3
117 CALL getold_low(n3x3con, n4x6con, colv_list, g3x3_list, g4x6_list, fixd_list, &
139 SUBROUTINE getold_low(n3x3con, n4x6con, colv_list, g3x3_list, g4x6_list, fixd_list, & argument
142 INTEGER, INTENT(IN) :: n3x3con, n4x6con local
166 DO iconst = 1, n3x3con
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