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Searched defs:hfx_section (Results 1 – 16 of 16) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhfx_types.F430 TYPE(section_vals_type), POINTER :: ri_section => NULL(), hfx_section => NULL() component
583 SUBROUTINE hfx_create(x_data, para_env, hfx_section, atomic_kind_set, qs_kind_set, & argument
587 TYPE(section_vals_type), POINTER :: hfx_section local
1007 …SUBROUTINE hfx_ri_init_read_input_from_hfx(ri_data, x_data, hfx_section, ri_section, qs_kind_set, & argument
1011 TYPE(section_vals_type), POINTER :: hfx_section, ri_section local
2512 SUBROUTINE hfx_print_std_info(x_data, hfx_section) argument
2514 TYPE(section_vals_type), POINTER :: hfx_section local
2562 SUBROUTINE hfx_print_ri_info(ri_data, hfx_section) argument
2564 TYPE(section_vals_type), POINTER :: hfx_section local
2669 SUBROUTINE hfx_print_info(x_data, hfx_section, i_rep) argument
[all …]
H A Drpa_axk.F491 SUBROUTINE hfx_create_subgroup(qs_env, para_env_sub, hfx_section, x_data, n_rep_hf) argument
494 TYPE(section_vals_type), POINTER :: hfx_section local
H A Dqs_tddfpt2_methods.F441 TYPE(section_vals_type), POINTER :: hfx_section, input, tddfpt_section local
H A Dhfx_admm_utils.F607 SUBROUTINE pw_hfx(qs_env, energy, hfx_section, poisson_env, auxbas_pw_pool, irep) argument
610 TYPE(section_vals_type), POINTER :: hfx_section local
H A Dqs_environment.F278 hfx_section, kpoint_section, & local
H A Dresponse_solver.F349 TYPE(section_vals_type), POINTER :: hfx_section, xc_fun_section, xc_section local
H A Dhfx_derivatives.F113 SUBROUTINE derivatives_four_center(qs_env, rho_ao, rho_ao_resp, hfx_section, para_env, & argument
119 TYPE(section_vals_type), POINTER :: hfx_section local
H A Dhfx_energy_potential.F134 … SUBROUTINE integrate_four_center(qs_env, x_data, ks_matrix, ehfx, rho_ao, hfx_section, para_env, & argument
143 TYPE(section_vals_type), POINTER :: hfx_section local
H A Dqs_linres_methods.F1524 TYPE(section_vals_type), POINTER :: hfx_section, input local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Drpa_axk.F491 SUBROUTINE hfx_create_subgroup(qs_env, para_env_sub, hfx_section, x_data, n_rep_hf) argument
494 TYPE(section_vals_type), POINTER :: hfx_section local
H A Dhfx_admm_utils.F431 SUBROUTINE pw_hfx(qs_env, energy, hfx_section, poisson_env, auxbas_pw_pool, irep) argument
434 TYPE(section_vals_type), POINTER :: hfx_section local
H A Dhfx_types.F461 SUBROUTINE hfx_create(x_data, para_env, hfx_section, natom, atomic_kind_set, qs_kind_set, & argument
465 TYPE(section_vals_type), POINTER :: hfx_section local
1830 SUBROUTINE hfx_print_info(x_data, hfx_section, i_rep) argument
1832 TYPE(section_vals_type), POINTER :: hfx_section local
H A Dqs_environment.F269 hfx_section, kpoint_section, & local
H A Dhfx_derivatives.F111 SUBROUTINE derivatives_four_center(qs_env, rho_ao, hfx_section, para_env, & argument
116 TYPE(section_vals_type), POINTER :: hfx_section local
H A Dhfx_energy_potential.F134 … SUBROUTINE integrate_four_center(qs_env, x_data, ks_matrix, ehfx, rho_ao, hfx_section, para_env, & argument
143 TYPE(section_vals_type), POINTER :: hfx_section local
H A Dqs_tddfpt2_methods.F327 TYPE(section_vals_type), POINTER :: hfx_section, input, & local