Searched defs:rRc_xyz_ao (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_operators_ao.F | 1074 CHARACTER(len=*), PARAMETER :: routineN = 'rRc_xyz_ao', routineP = moduleN//':'//routineN argument
1076 INTEGER :: handle, iatom, icol, ikind, imom, inode, irow, iset, jatom, jkind, jset, &
1077 last_jatom, ldab, ldsa, ldsb, ldwork, M_dim, maxl, ncoa, ncob, nkind, nseta, nsetb, sgfa, &
1078 sgfb, smom
1079 INTEGER, DIMENSION(:), POINTER :: la_max, la_min, lb_max, npgfa, npgfb, &
1080 nsgfa, nsgfb
1082 LOGICAL :: found, my_minimum_image, my_soft, &
1084 REAL(KIND=dp) :: dab, Lxo2, Lyo2, Lzo2, rab2
1085 REAL(KIND=dp), DIMENSION(3) :: ra, rab, rac, rb, rbc
1087 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, work, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_operators_ao.F | 1074 CHARACTER(len=*), PARAMETER :: routineN = 'rRc_xyz_ao', routineP = moduleN//':'//routineN argument
1076 INTEGER :: handle, iatom, icol, ikind, imom, inode, irow, iset, jatom, jkind, jset, &
1077 last_jatom, ldab, ldsa, ldsb, ldwork, M_dim, maxl, ncoa, ncob, nkind, nseta, nsetb, sgfa, &
1078 sgfb, smom
1079 INTEGER, DIMENSION(:), POINTER :: la_max, la_min, lb_max, npgfa, npgfb, &
1080 nsgfa, nsgfb
1082 LOGICAL :: found, my_minimum_image, my_soft, &
1084 REAL(KIND=dp) :: dab, Lxo2, Lyo2, Lzo2, rab2
1085 REAL(KIND=dp), DIMENSION(3) :: ra, rab, rac, rb, rbc
1087 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, work, &
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