| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_force_types.F | 71 SUBROUTINE allocate_qs_force(qs_force, natom_of_kind) argument
74 INTEGER, DIMENSION(:), INTENT(IN) :: natom_of_kind local
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| H A D | qs_integrate_potential_single.F | 106 n, natom_of_kind, ni, npme local
486 natom_of_kind, npme local
659 maxco, maxsgf_set, my_pos, na1, natom_of_kind, ncoa, nkind, nseta, offset, sgfa local
902 jset, m1, maxco, maxsgf_set, my_pos, na1, na2, natom_of_kind, nb1, nb2, ncoa, ncob, & local
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| H A D | qs_basis_gradient.F | 89 INTEGER, ALLOCATABLE, DIMENSION(:) :: atom_of_kind, kind_of, natom_of_kind local
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| H A D | qs_force.F | 137 INTEGER, ALLOCATABLE, DIMENSION(:) :: atom_of_kind, kind_of, natom_of_kind local
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| H A D | fist_pol_scf.F | 163 natom_of_kind, natoms, nkind, ntot local
376 natom_of_kind, natoms, nkind, ntot local
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| H A D | dft_plus_u.F | 214 jsb, jset, jsgf, jshell, lu, m, max_scf, n, natom, natom_of_kind, nkind, norb, nsb, & local
865 jsb, jset, jsgf, jshell, lu, m, max_scf, n, natom, natom_of_kind, nkind, norb, nsb, & local
1520 jsgf, lu, m, natom, natom_of_kind, nkind, nsb, nset, nsgf, nspin, sgf local
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| H A D | topology_coordinate_util.F | 107 natom_of_kind, wlist local
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| H A D | mp2_eri.F | 142 INTEGER, ALLOCATABLE, DIMENSION(:) :: atom_of_kind, kind_of, natom_of_kind local
652 INTEGER, ALLOCATABLE, DIMENSION(:) :: atom_of_kind, kind_of, natom_of_kind local
1467 PURE SUBROUTINE mp2_eri_allocate_forces(force, natom_of_kind) argument
1470 INTEGER, DIMENSION(:), INTENT(IN) :: natom_of_kind local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_force_types.F | 75 SUBROUTINE allocate_qs_force(qs_force, natom_of_kind) argument
78 INTEGER, DIMENSION(:), INTENT(IN) :: natom_of_kind local
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| H A D | qs_integrate_potential_single.F | 107 n, natom_of_kind, ni, npme local
499 natom_of_kind, npme local
669 maxco, maxsgf_set, my_pos, na1, natom_of_kind, ncoa, nkind, nseta, offset, sgfa local
909 jset, m1, maxco, maxsgf_set, my_pos, na1, na2, natom_of_kind, nb1, nb2, ncoa, ncob, & local
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| H A D | qs_basis_gradient.F | 89 INTEGER, ALLOCATABLE, DIMENSION(:) :: atom_of_kind, kind_of, natom_of_kind local
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| H A D | qs_force.F | 138 INTEGER, ALLOCATABLE, DIMENSION(:) :: atom_of_kind, kind_of, natom_of_kind local
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| H A D | fist_pol_scf.F | 163 natom_of_kind, natoms, nkind, ntot local
376 natom_of_kind, natoms, nkind, ntot local
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| H A D | dft_plus_u.F | 214 jsb, jset, jsgf, jshell, lu, m, max_scf, n, natom, natom_of_kind, nkind, norb, nsb, & local
865 jsb, jset, jsgf, jshell, lu, m, max_scf, n, natom, natom_of_kind, nkind, norb, nsb, & local
1520 jsgf, lu, m, natom, natom_of_kind, nkind, nsb, nset, nsgf, nspin, sgf local
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| H A D | topology_coordinate_util.F | 107 natom_of_kind, wlist local
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| H A D | mp2_eri.F | 142 INTEGER, ALLOCATABLE, DIMENSION(:) :: atom_of_kind, kind_of, natom_of_kind local
651 INTEGER, ALLOCATABLE, DIMENSION(:) :: atom_of_kind, kind_of, natom_of_kind local
1466 PURE SUBROUTINE mp2_eri_allocate_forces(force, natom_of_kind) argument
1469 INTEGER, DIMENSION(:), INTENT(IN) :: natom_of_kind local
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| H A D | energy_corrections.F | 197 INTEGER, ALLOCATABLE, DIMENSION(:) :: natom_of_kind local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
| H A D | atomic_kind_types.F | 229 atom_of_kind, kind_of, natom_of_kind, & argument
239 INTEGER, DIMENSION(:), INTENT(OUT), OPTIONAL :: atom_of_kind, kind_of, natom_of_kind local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
| H A D | atomic_kind_types.F | 229 atom_of_kind, kind_of, natom_of_kind, & argument
239 INTEGER, DIMENSION(:), INTENT(OUT), OPTIONAL :: atom_of_kind, kind_of, natom_of_kind local
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