Searched defs:rRc_xyz_der_ao (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_operators_ao.F | 1336 CHARACTER(len=*), PARAMETER :: routineN = 'rRc_xyz_der_ao', routineP = moduleN//':'//routineN argument
1338 INTEGER :: handle, i, iatom, icol, idir, ikind, imom, inode, ipgf, irow, iset, j, jatom, &
1339 jkind, jpgf, jset, last_jatom, lda_min, ldab, ldb_min, ldsa, ldsb, ldwork, M_dim, maxl, &
1340 na, nb, ncoa, ncob, nda, ndb, nkind, nseta, nsetb, sgfa, sgfb
1341 INTEGER, DIMENSION(:), POINTER :: la_max, la_min, lb_max, lb_min, npgfa, &
1342 npgfb, nsgfa, nsgfb
1344 LOGICAL :: my_minimum_image, my_soft, new_atom_b, &
1346 … REAL(KIND=dp) :: alpha, alpha_der, dab, Lxo2, Lyo2, Lzo2, &
1348 REAL(KIND=dp), DIMENSION(3) :: ra, rab, rac, rb, rbc
1350 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, work, &
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_operators_ao.F | 1336 CHARACTER(len=*), PARAMETER :: routineN = 'rRc_xyz_der_ao', routineP = moduleN//':'//routineN argument
1338 INTEGER :: handle, i, iatom, icol, idir, ikind, imom, inode, ipgf, irow, iset, j, jatom, &
1339 jkind, jpgf, jset, last_jatom, lda_min, ldab, ldb_min, ldsa, ldsb, ldwork, M_dim, maxl, &
1340 na, nb, ncoa, ncob, nda, ndb, nkind, nseta, nsetb, sgfa, sgfb
1341 INTEGER, DIMENSION(:), POINTER :: la_max, la_min, lb_max, lb_min, npgfa, &
1342 npgfb, nsgfa, nsgfb
1344 LOGICAL :: my_minimum_image, my_soft, new_atom_b, &
1346 … REAL(KIND=dp) :: alpha, alpha_der, dab, Lxo2, Lyo2, Lzo2, &
1348 REAL(KIND=dp), DIMENSION(3) :: ra, rab, rac, rb, rbc
1350 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, work, &
[all …]
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