Searched defs:init_atom_electronic_state (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_kind_types.F | 2982 SUBROUTINE init_atom_electronic_state(atomic_kind, qs_kind, ncalc, ncore, nelem, edelta) subroutine
2990 CHARACTER(len=*), PARAMETER :: routineN = 'init_atom_electronic_state', & argument
2991 routineP = moduleN//':'//routineN
2993 INTEGER :: i, ii, is, l, ll, ne, nn, z local
2994 INTEGER, DIMENSION(:), POINTER :: econf
2995 INTEGER, DIMENSION(:, :), POINTER :: addel, laddel, naddel
2996 LOGICAL :: bs_occupation
2997 REAL(KIND=dp) :: dmag, magnetization
2998 TYPE(gth_potential_type), POINTER :: gth_potential
2999 TYPE(sgp_potential_type), POINTER :: sgp_potential
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_kind_types.F | 2988 SUBROUTINE init_atom_electronic_state(atomic_kind, qs_kind, ncalc, ncore, nelem, edelta) subroutine
2996 CHARACTER(len=*), PARAMETER :: routineN = 'init_atom_electronic_state', & argument
2997 routineP = moduleN//':'//routineN
2999 INTEGER :: i, ii, is, l, ll, ne, nn, z local
3000 INTEGER, DIMENSION(:), POINTER :: econf
3001 INTEGER, DIMENSION(:, :), POINTER :: addel, laddel, naddel
3002 LOGICAL :: bs_occupation
3003 REAL(KIND=dp) :: dmag, magnetization
3004 TYPE(gth_potential_type), POINTER :: gth_potential
3005 TYPE(sgp_potential_type), POINTER :: sgp_potential
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