| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_ks_atom.F | 140 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: C_coeff_hh_a, C_coeff_hh_b, & local
424 C_coeff_hh_a => alist_ac%clist(kac)%achint
428 C_coeff_hh_a => alist_ac%clist(kac)%acint
446 … CALL add_vhxca_to_ks(mat_h, C_coeff_hh_a, C_coeff_hh_b, C_coeff_ss_a, C_coeff_ss_b, &
462 … CALL add_vhxca_forces(mat_p, C_coeff_hh_a, C_coeff_hh_b, C_coeff_ss_a, C_coeff_ss_b, &
480 … CALL add_vhxca_forces(mat_p, C_coeff_hh_b, C_coeff_hh_a, C_coeff_ss_b, C_coeff_ss_a, &
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| H A D | qs_linres_atom_current.F | 129 REAL(KIND=dp), DIMENSION(:, :), POINTER :: C_coeff_hh_a, C_coeff_hh_b, & local
412 C_coeff_hh_a => alist_ac%clist(kac)%achint(:, :, 1)
416 C_coeff_hh_a => alist_ac%clist(kac)%acint(:, :, 1)
458 CALL proj_blk(C_coeff_hh_a, C_coeff_ss_a, n_cont_a, &
466 CALL proj_blk(C_coeff_hh_a, C_coeff_ss_a, n_cont_a, &
474 CALL proj_blk(C_coeff_hh_a, C_coeff_ss_a, n_cont_a, &
482 CALL proj_blk(C_coeff_hh_a, C_coeff_ss_a, n_cont_a, &
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| H A D | qs_rho_atom_methods.F | 502 REAL(KIND=dp), DIMENSION(:, :), POINTER :: C_coeff_hh_a, C_coeff_hh_b, & local
716 C_coeff_hh_a => alist_ac%clist(kac)%achint(:, :, 1)
720 C_coeff_hh_a => alist_ac%clist(kac)%acint(:, :, 1)
756 CALL proj_blk(C_coeff_hh_a, C_coeff_ss_a, n_cont_a, &
762 C_coeff_hh_a, C_coeff_ss_a, n_cont_a, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_ks_atom.F | 130 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: C_coeff_hh_a, C_coeff_hh_b, & local
411 C_coeff_hh_a => alist_ac%clist(kac)%achint
415 C_coeff_hh_a => alist_ac%clist(kac)%acint
433 … CALL add_vhxca_to_ks(mat_h, C_coeff_hh_a, C_coeff_hh_b, C_coeff_ss_a, C_coeff_ss_b, &
449 … CALL add_vhxca_forces(mat_p, C_coeff_hh_a, C_coeff_hh_b, C_coeff_ss_a, C_coeff_ss_b, &
467 … CALL add_vhxca_forces(mat_p, C_coeff_hh_b, C_coeff_hh_a, C_coeff_ss_b, C_coeff_ss_a, &
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| H A D | qs_linres_atom_current.F | 129 REAL(KIND=dp), DIMENSION(:, :), POINTER :: C_coeff_hh_a, C_coeff_hh_b, & local
412 C_coeff_hh_a => alist_ac%clist(kac)%achint(:, :, 1)
416 C_coeff_hh_a => alist_ac%clist(kac)%acint(:, :, 1)
458 CALL proj_blk(C_coeff_hh_a, C_coeff_ss_a, n_cont_a, &
466 CALL proj_blk(C_coeff_hh_a, C_coeff_ss_a, n_cont_a, &
474 CALL proj_blk(C_coeff_hh_a, C_coeff_ss_a, n_cont_a, &
482 CALL proj_blk(C_coeff_hh_a, C_coeff_ss_a, n_cont_a, &
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| H A D | qs_rho_atom_methods.F | 491 REAL(KIND=dp), DIMENSION(:, :), POINTER :: C_coeff_hh_a, C_coeff_hh_b, & local
716 C_coeff_hh_a => alist_ac%clist(kac)%achint(:, :, 1)
720 C_coeff_hh_a => alist_ac%clist(kac)%acint(:, :, 1)
756 CALL proj_blk(C_coeff_hh_a, C_coeff_ss_a, n_cont_a, &
762 C_coeff_hh_a, C_coeff_ss_a, n_cont_a, &
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