Searched defs:init_nablavks_atom_set (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_types.F | 1320 SUBROUTINE init_nablavks_atom_set(nablavks_atom_set, atomic_kind_set, qs_kind_set, nspins) subroutine
1327 CHARACTER(len=*), PARAMETER :: routineN = 'init_nablavks_atom_set', & argument
1328 routineP = moduleN//':'//routineN
1330 … INTEGER :: handle, iat, iatom, idir, ikind, ispin, &
1331 max_iso_not0, maxso, na, nat, natom, &
1332 nkind, nr, nset, nsotot
1333 INTEGER, DIMENSION(:), POINTER :: atom_list
1334 TYPE(grid_atom_type), POINTER :: grid_atom
1335 TYPE(gto_basis_set_type), POINTER :: orb_basis_set
1336 TYPE(harmonics_atom_type), POINTER :: harmonics
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_types.F | 1320 SUBROUTINE init_nablavks_atom_set(nablavks_atom_set, atomic_kind_set, qs_kind_set, nspins) subroutine
1327 CHARACTER(len=*), PARAMETER :: routineN = 'init_nablavks_atom_set', & argument
1328 routineP = moduleN//':'//routineN
1330 … INTEGER :: handle, iat, iatom, idir, ikind, ispin, &
1331 max_iso_not0, maxso, na, nat, natom, &
1332 nkind, nr, nset, nsotot
1333 INTEGER, DIMENSION(:), POINTER :: atom_list
1334 TYPE(grid_atom_type), POINTER :: grid_atom
1335 TYPE(gto_basis_set_type), POINTER :: orb_basis_set
1336 TYPE(harmonics_atom_type), POINTER :: harmonics
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