Searched defs:integrate_ppl_rspace (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_integrate_potential_single.F | 99 SUBROUTINE integrate_ppl_rspace(rho_rspace, qs_env) subroutine
103 CHARACTER(len=*), PARAMETER :: routineN = 'integrate_ppl_rspace', & argument
104 routineP = moduleN//':'//routineN
106 INTEGER :: atom_a, handle, iatom, ikind, j, lppl, &
107 n, natom_of_kind, ni, npme
108 INTEGER, DIMENSION(:), POINTER :: atom_list, cores
110 REAL(KIND=dp) :: alpha, eps_rho_rspace, radius
111 REAL(KIND=dp), DIMENSION(3) :: force_a, force_b, ra
112 REAL(KIND=dp), DIMENSION(3, 3) :: my_virial_a, my_virial_b
114 REAL(KIND=dp), DIMENSION(:, :), POINTER :: hab, pab
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_integrate_potential_single.F | 98 SUBROUTINE integrate_ppl_rspace(rho_rspace, qs_env) subroutine
102 CHARACTER(len=*), PARAMETER :: routineN = 'integrate_ppl_rspace', & argument
103 routineP = moduleN//':'//routineN
105 INTEGER :: atom_a, handle, iatom, ikind, j, lppl, &
106 n, natom_of_kind, ni, npme
107 INTEGER, DIMENSION(:), POINTER :: atom_list, cores
109 REAL(KIND=dp) :: alpha, eps_rho_rspace
110 REAL(KIND=dp), DIMENSION(3) :: force_a, force_b, ra
111 REAL(KIND=dp), DIMENSION(3, 3) :: my_virial_a, my_virial_b
113 REAL(KIND=dp), DIMENSION(:, :), POINTER :: hab, pab
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