Searched defs:atomic_moments (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_scf_post_se.F | 396 SUBROUTINE atomic_moments(mom, basis_set) subroutine
400 CHARACTER(len=*), PARAMETER :: routineN = 'atomic_moments', routineP = moduleN//':'//routineN argument
402 INTEGER :: i, iset, jset, ncoa, ncob, nm, nset, &
403 sgfa, sgfb
404 INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgf, nsgf
405 INTEGER, DIMENSION(:, :), POINTER :: first_sgf
406 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: work
407 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab
408 REAL(KIND=dp), DIMENSION(3) :: rac, rbc
409 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgf, sphi, zet
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_scf_post_se.F | 396 SUBROUTINE atomic_moments(mom, basis_set) subroutine
400 CHARACTER(len=*), PARAMETER :: routineN = 'atomic_moments', routineP = moduleN//':'//routineN argument
402 INTEGER :: i, iset, jset, ncoa, ncob, nm, nset, &
403 sgfa, sgfb
404 INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgf, nsgf
405 INTEGER, DIMENSION(:, :), POINTER :: first_sgf
406 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: work
407 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab
408 REAL(KIND=dp), DIMENSION(3) :: rac, rbc
409 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgf, sphi, zet
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