Searched defs:integrate_sc_fxc (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_atom.F | 2771 CHARACTER(len=*), PARAMETER :: routineN = 'integrate_sc_fxc', & argument
2772 routineP = moduleN//':'//routineN
2774 INTEGER :: er, i, maxso, na, nr, nset, nsotot, &
2775 nspins, ri_nsgf, sr, ub
2776 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: fxc, int_so
2777 REAL(dp), DIMENSION(:, :), POINTER :: ri_sphi_so
2778 TYPE(cp_3d_r_p_type), ALLOCATABLE, DIMENSION(:) :: d2e
2779 TYPE(dft_control_type), POINTER :: dft_control
2780 TYPE(grid_atom_type), POINTER :: grid_atom
2781 TYPE(gto_basis_set_type), POINTER :: ri_basis
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_atom.F | 2836 CHARACTER(len=*), PARAMETER :: routineN = 'integrate_sc_fxc', & argument
2837 routineP = moduleN//':'//routineN
2839 … INTEGER :: i, maxso, na, nr, nset, nsotot, nspins, &
2840 ri_nsgf, ub
2841 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: fxc, int_so
2842 REAL(dp), DIMENSION(:, :), POINTER :: ri_sphi_so
2843 TYPE(cp_3d_r_p_type), ALLOCATABLE, DIMENSION(:) :: d2e
2844 TYPE(dft_control_type), POINTER :: dft_control
2845 TYPE(grid_atom_type), POINTER :: grid_atom
2846 TYPE(gto_basis_set_type), POINTER :: ri_basis
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