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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dse_fock_matrix_dbg.F39 SUBROUTINE dbg_energy_coulomb_lr(energy, ks_matrix, nspins, qs_env, matrix_p, & argument
45 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_p local
H A Dct_types.F101 TYPE(dbcsr_type), POINTER :: matrix_p => NULL() component
213 … p_index_up, p_index_down, q_index_up, q_index_down, matrix_ks, matrix_p, & argument
228 matrix_ks, matrix_p, matrix_qp_template, matrix_pq_template, matrix_t, matrix_v local
335 … p_index_up, p_index_down, q_index_up, q_index_down, matrix_ks, matrix_p, & argument
352 matrix_ks, matrix_p, matrix_qp_template, matrix_pq_template, matrix_t, matrix_v, & local
H A Ddm_ls_scf_methods.F379 SUBROUTINE density_matrix_sign(matrix_p, mu, fixed_mu, sign_method, sign_order, matrix_ks, & argument
383 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_p local
478 … SUBROUTINE density_matrix_sign_fixed_mu(matrix_p, trace, mu, sign_method, sign_order, matrix_ks, & argument
482 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_p local
614 SUBROUTINE density_matrix_trs4(matrix_p, matrix_ks, matrix_s_sqrt_inv, & argument
619 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_p local
911 SUBROUTINE density_matrix_tc2(matrix_p, matrix_ks, matrix_s_sqrt_inv, & argument
915 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_p local
1178 …SUBROUTINE compute_homo_lumo(matrix_k, matrix_p, eps_min, eps_max, threshold, max_iter_lanczos, ep… argument
1179 TYPE(dbcsr_type) :: matrix_k, matrix_p local
H A Dqs_kinetic.F89 basis_type, sab_nl, calculate_forces, matrix_p, matrixkp_p, & argument
102 TYPE(dbcsr_type), OPTIONAL, POINTER :: matrix_p local
132 … sab_nl, calculate_forces, matrix_p, matrixkp_p, eps_filter, natom) argument
144 TYPE(dbcsr_type), OPTIONAL, POINTER :: matrix_p local
H A Dse_fock_matrix_exchange.F75 SUBROUTINE build_fock_matrix_exchange(qs_env, ks_matrix, matrix_p, calculate_forces, & argument
79 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ks_matrix, matrix_p local
H A Ddm_ls_scf_types.F56 TYPE(dbcsr_type), DIMENSION(:), ALLOCATABLE :: matrix_p component
131 TYPE(dbcsr_type), DIMENSION(:), ALLOCATABLE :: matrix_p component
H A Dpexsi_types.F230 SUBROUTINE convert_nspin_cp2k_pexsi(direction, numElectron, matrix_p, matrix_w, kTS) argument
233 TYPE(dbcsr_type), INTENT(INOUT), OPTIONAL :: matrix_p local
H A Dqs_o3c_methods.F45 SUBROUTINE calculate_o3c_integrals(o3c, calculate_forces, matrix_p) argument
49 POINTER :: matrix_p local
313 SUBROUTINE contract12_o3c(o3c, matrix_p) argument
315 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_p local
H A Dec_env_types.F80 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: matrix_p component
H A Dqs_core_hamiltonian.F172 … TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: matrix_h, matrix_p, matrix_s, matrix_t, & local
440 SUBROUTINE core_matrices(qs_env, matrix_h, matrix_p, calculate_forces, nder) argument
443 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: matrix_h, matrix_p local
H A Dalmo_scf_qs.F641 SUBROUTINE almo_dm_to_qs_env(qs_env, matrix_p, mat_distr_aos) argument
643 TYPE(dbcsr_type), DIMENSION(:) :: matrix_p local
687 SUBROUTINE almo_dm_to_qs_ks(qs_env, matrix_p, energy_total, mat_distr_aos, smear, kTS_sum) argument
689 TYPE(dbcsr_type), DIMENSION(:) :: matrix_p local
751 SUBROUTINE almo_dm_to_almo_ks(qs_env, matrix_p, matrix_ks, energy_total, eps_filter, & argument
755 TYPE(dbcsr_type), DIMENSION(:) :: matrix_p, matrix_ks local
H A Dse_fock_matrix_coulomb.F117 SUBROUTINE build_fock_matrix_coulomb(qs_env, ks_matrix, matrix_p, energy, calculate_forces, & argument
121 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ks_matrix, matrix_p local
482 SUBROUTINE build_fock_matrix_coulomb_lr(qs_env, ks_matrix, matrix_p, energy, & argument
486 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ks_matrix, matrix_p local
841 SUBROUTINE build_fock_matrix_coul_lrc(qs_env, ks_matrix, matrix_p, energy, & argument
846 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ks_matrix, matrix_p local
1216 SUBROUTINE build_fock_matrix_coul_lr_r3(qs_env, ks_matrix, matrix_p, energy, calculate_forces) argument
1218 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ks_matrix, matrix_p local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dse_fock_matrix_dbg.F39 SUBROUTINE dbg_energy_coulomb_lr(energy, ks_matrix, nspins, qs_env, matrix_p, & argument
45 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_p local
H A Dct_types.F101 TYPE(dbcsr_type), POINTER :: matrix_p => NULL() component
213 … p_index_up, p_index_down, q_index_up, q_index_down, matrix_ks, matrix_p, & argument
228 matrix_ks, matrix_p, matrix_qp_template, matrix_pq_template, matrix_t, matrix_v local
335 … p_index_up, p_index_down, q_index_up, q_index_down, matrix_ks, matrix_p, & argument
352 matrix_ks, matrix_p, matrix_qp_template, matrix_pq_template, matrix_t, matrix_v, & local
H A Ddm_ls_scf_methods.F379 SUBROUTINE density_matrix_sign(matrix_p, mu, fixed_mu, sign_method, sign_order, matrix_ks, & argument
382 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_p local
461 … SUBROUTINE density_matrix_sign_fixed_mu(matrix_p, trace, mu, sign_method, sign_order, matrix_ks, & argument
464 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_p local
554 SUBROUTINE density_matrix_trs4(matrix_p, matrix_ks, matrix_s_sqrt_inv, & argument
559 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_p local
851 SUBROUTINE density_matrix_tc2(matrix_p, matrix_ks, matrix_s_sqrt_inv, & argument
855 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_p local
1118 …SUBROUTINE compute_homo_lumo(matrix_k, matrix_p, eps_min, eps_max, threshold, max_iter_lanczos, ep… argument
1119 TYPE(dbcsr_type) :: matrix_k, matrix_p local
H A Dse_fock_matrix_exchange.F75 SUBROUTINE build_fock_matrix_exchange(qs_env, ks_matrix, matrix_p, calculate_forces, & argument
79 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ks_matrix, matrix_p local
H A Ddm_ls_scf_types.F56 TYPE(dbcsr_type), DIMENSION(:), ALLOCATABLE :: matrix_p component
129 TYPE(dbcsr_type), DIMENSION(:), ALLOCATABLE :: matrix_p component
H A Dpexsi_types.F230 SUBROUTINE convert_nspin_cp2k_pexsi(direction, numElectron, matrix_p, matrix_w, kTS) argument
233 TYPE(dbcsr_type), INTENT(INOUT), OPTIONAL :: matrix_p local
H A Dqs_core_hamiltonian.F172 … TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: matrix_h, matrix_p, matrix_s, matrix_t, & local
442 SUBROUTINE core_matrices(qs_env, matrix_h, matrix_p, calculate_forces, nder) argument
445 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: matrix_h, matrix_p local
H A Dalmo_scf_qs.F641 SUBROUTINE almo_dm_to_qs_env(qs_env, matrix_p, mat_distr_aos) argument
643 TYPE(dbcsr_type), DIMENSION(:) :: matrix_p local
687 SUBROUTINE almo_dm_to_qs_ks(qs_env, matrix_p, energy_total, mat_distr_aos, smear, kTS_sum) argument
689 TYPE(dbcsr_type), DIMENSION(:) :: matrix_p local
751 SUBROUTINE almo_dm_to_almo_ks(qs_env, matrix_p, matrix_ks, energy_total, eps_filter, & argument
755 TYPE(dbcsr_type), DIMENSION(:) :: matrix_p, matrix_ks local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/emd/
H A Drt_hfx_utils.F107 SUBROUTINE rebuild_matrices(matrix_p, matrix_ks, sab_orb, matrix_s, nspins) argument
108 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_p, matrix_ks local
/dports/science/cp2k-data/cp2k-7.1.0/src/emd/
H A Drt_hfx_utils.F107 SUBROUTINE rebuild_matrices(matrix_p, matrix_ks, sab_orb, matrix_s, nspins) argument
108 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_p, matrix_ks local
/dports/math/xlife++/xlifepp-sources-v2.0.1-2018-05-09/src/essentialConditions/
H A DConstraints.hpp126 …MatrixEntry* matrix_p; //!< matrix of essential condition's and reduced matrix… member in xlifepp::Constraints
/dports/biology/fasta/fasta/
H A Dag_stats.c32 struct alt_p *matrix_p; in init_stats() local
/dports/x11-wm/mutter/mutter-41.1/cogl/cogl/
H A Dcogl.c178 const graphene_matrix_t *matrix_p, in _cogl_transform_point()

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