| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | kg_energy_corrections.F | 486 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: ksmat, pmat, smat local
540 SUBROUTINE mao_create_matrices(ec_env, ksmat, smat, pmat) argument
543 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: ksmat, smat, pmat local
607 SUBROUTINE mao_release_matrices(ec_env, ksmat, smat, pmat) argument
610 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: ksmat, smat, pmat local
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| H A D | qs_ks_apply_restraints.F | 156 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ksmat, rho_ao local
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| H A D | kg_correction.F | 256 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: density_matrix, ksmat local
423 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ksmat local
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| H A D | mao_methods.F | 430 SUBROUTINE calculate_p_gamma(pmat, ksmat, smat, kpoints, nmos, occ) argument
432 TYPE(dbcsr_type) :: pmat, ksmat, smat local
732 TYPE(dbcsr_type) :: ksmat, pmat, smat, tmat local
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| H A D | qs_ks_atom.F | 100 SUBROUTINE update_ks_atom(qs_env, ksmat, pmat, forces, tddft, p_env) argument
103 TYPE(dbcsr_p_type), DIMENSION(:, :), INTENT(INOUT) :: ksmat, pmat local
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| H A D | qs_kpp1_env_methods.F | 159 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: ksmat, psmat local
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| H A D | qs_integrate_potential_single.F | 891 …SUBROUTINE integrate_v_rspace_diagonal(v_rspace, ksmat, pmat, qs_env, calculate_forces, basis_type) argument
893 TYPE(dbcsr_type), INTENT(INOUT) :: ksmat, pmat local
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| H A D | xc_pot_saop.F | 531 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: ksmat, psmat local
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| H A D | qs_ks_methods.F | 226 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ksmat, matrix_vxc, mo_derivs local
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| H A D | qs_ks_utils.F | 1226 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ksmat, matrix_ks_aux_fit, & local
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| H A D | qs_active_space_methods.F | 775 TYPE(cp_fm_type), POINTER :: hmat, ksmat, mo_coeff, vxcmat local
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| H A D | qs_linres_methods.F | 864 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: ksmat, psmat local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_ks_apply_restraints.F | 156 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ksmat, rho_ao local
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| H A D | energy_corrections.F | 1125 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: ksmat, pmat, smat, wmat local
1194 SUBROUTINE mao_create_matrices(ec_env, ksmat, smat, pmat, wmat) argument
1197 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: ksmat, smat, pmat, wmat local
1269 SUBROUTINE mao_release_matrices(ec_env, ksmat, smat, pmat, wmat) argument
1272 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: ksmat, smat, pmat, wmat local
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| H A D | mao_methods.F | 430 SUBROUTINE calculate_p_gamma(pmat, ksmat, smat, kpoints, nmos, occ) argument
432 TYPE(dbcsr_type) :: pmat, ksmat, smat local
732 TYPE(dbcsr_type) :: ksmat, pmat, smat, tmat local
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| H A D | kg_correction.F | 349 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: density_matrix, ksmat local
516 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ksmat local
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| H A D | qs_ks_atom.F | 103 SUBROUTINE update_ks_atom(qs_env, ksmat, pmat, forces, tddft, rho_atom_external, & argument
107 TYPE(dbcsr_p_type), DIMENSION(*), INTENT(INOUT) :: ksmat, pmat local
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| H A D | qs_kpp1_env_methods.F | 161 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: ksmat, psmat local
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| H A D | qs_integrate_potential_single.F | 898 …SUBROUTINE integrate_v_rspace_diagonal(v_rspace, ksmat, pmat, qs_env, calculate_forces, basis_type) argument
900 TYPE(dbcsr_type), INTENT(INOUT) :: ksmat, pmat local
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| H A D | xc_pot_saop.F | 534 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: ksmat, psmat local
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| H A D | response_solver.F | 1016 TYPE(cp_fm_type), POINTER :: ksmat, scrv local
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| H A D | qs_ks_methods.F | 229 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ksmat, matrix_vxc, mo_derivs local
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| H A D | qs_ks_utils.F | 1233 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ksmat, matrix_ks_aux_fit, & local
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| H A D | qs_active_space_methods.F | 775 TYPE(cp_fm_type), POINTER :: hmat, ksmat, mo_coeff, vxcmat local
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| H A D | qs_linres_methods.F | 876 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: ksmat, psmat local
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