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Searched defs:integrate_v_rspace_one_center (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_integrate_potential_single.F655 CHARACTER(len=*), PARAMETER :: routineN = 'integrate_v_rspace_one_center', & argument
656 routineP = moduleN//':'//routineN
658 INTEGER :: atom_a, dir, group_size, handle, i, iatom, igrid_level, ikind, ipgf, iset, m1, &
659 maxco, maxsgf_set, my_pos, na1, natom_of_kind, ncoa, nkind, nseta, offset, sgfa
660 INTEGER, DIMENSION(3) :: lb, location, tp, ub
661 INTEGER, DIMENSION(:), POINTER :: atom_list, la_max, la_min, npgfa, &
664 LOGICAL :: map_consistent, use_virial
666 REAL(KIND=dp) :: eps_gvg_rspace, eps_rho_rspace
667 REAL(KIND=dp), DIMENSION(3) :: force_a, force_b, ra
668 REAL(KIND=dp), DIMENSION(3, 3) :: my_virial_a, my_virial_b
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_integrate_potential_single.F665 CHARACTER(len=*), PARAMETER :: routineN = 'integrate_v_rspace_one_center', & argument
666 routineP = moduleN//':'//routineN
668 INTEGER :: atom_a, dir, group_size, handle, i, iatom, igrid_level, ikind, ipgf, iset, m1, &
669 maxco, maxsgf_set, my_pos, na1, natom_of_kind, ncoa, nkind, nseta, offset, sgfa
670 INTEGER, DIMENSION(3) :: lb, location, tp, ub
671 INTEGER, DIMENSION(:), POINTER :: atom_list, la_max, la_min, npgfa, &
676 REAL(KIND=dp) :: eps_rho_rspace, radius
677 REAL(KIND=dp), DIMENSION(3) :: force_a, force_b, ra
678 REAL(KIND=dp), DIMENSION(3, 3) :: my_virial_a, my_virial_b
680 … REAL(KIND=dp), DIMENSION(:, :), POINTER :: hab, pab, rpgfa, sphi_a, work_f, work_i, &
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