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Searched refs:xc_section_aux (Results 1 – 14 of 14) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dadmm_types.F119 xc_section_aux => Null() component
418 IF (ASSOCIATED(admm_env%xc_section_aux)) &
419 CALL section_vals_release(admm_env%xc_section_aux)
H A Dhfx_admm_utils.F629 NULLIFY (admm_env%xc_section_aux, admm_env%xc_section_primary)
634 CALL section_vals_duplicate(xc_section, admm_env%xc_section_aux)
638 xc_fun_section => section_vals_get_subs_vals(admm_env%xc_section_aux, "XC_FUNCTIONAL")
934 xc_fun_section => section_vals_get_subs_vals(admm_env%xc_section_aux, "XC_FUNCTIONAL")
H A Dadmm_methods.F1418 TYPE(section_vals_type), POINTER :: xc_section_aux local
1423 xc_section_aux, v_rspace_dummy, v_tau_rspace_dummy, &
1466 xc_section_aux => admm_env%xc_section_aux
1470 CALL qs_vxc_create(ks_env=ks_env, rho_struct=rho_aux_fit_buffer, xc_section=xc_section_aux, &
H A Dmp2.F1453 xc_section_admm_aux => section_vals_get_subs_vals(admm_env%xc_section_aux, &
1497 xc_section_admm_aux => section_vals_get_subs_vals(admm_env%xc_section_aux, &
H A Dqs_ks_methods.F549 xc_section => admm_env%xc_section_aux
H A Dqs_tddfpt2_methods.F497 xc_section=admm_env%xc_section_aux, &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dadmm_types.F144 xc_section_aux => Null() component
449 IF (ASSOCIATED(admm_env%xc_section_aux)) &
450 CALL section_vals_release(admm_env%xc_section_aux)
H A Dhfx_admm_utils.F808 NULLIFY (admm_env%xc_section_aux, admm_env%xc_section_primary)
813 CALL section_vals_duplicate(xc_section, admm_env%xc_section_aux)
817 xc_fun_section => section_vals_get_subs_vals(admm_env%xc_section_aux, "XC_FUNCTIONAL")
1304 xc_fun_section => section_vals_get_subs_vals(admm_env%xc_section_aux, "XC_FUNCTIONAL")
H A Dadmm_methods.F1667 TYPE(section_vals_type), POINTER :: xc_section_aux local
1673 xc_section_aux, v_rspace_dummy, v_tau_rspace_dummy, &
1728 xc_section_aux => admm_env%xc_section_aux
1732 CALL qs_vxc_create(ks_env=ks_env, rho_struct=rho_aux_fit_buffer, xc_section=xc_section_aux, &
1761 xc_section_external=xc_section_aux, &
H A Dqs_tddfpt2_methods.F224 xc_section=admm_env%xc_section_aux, &
H A Dmp2.F1454 xc_section_admm_aux => section_vals_get_subs_vals(admm_env%xc_section_aux, &
1498 xc_section_admm_aux => section_vals_get_subs_vals(admm_env%xc_section_aux, &
H A Dqs_linres_methods.F1778 xc_section => admm_env%xc_section_aux
2068 xc_section => admm_env%xc_section_aux
H A Dqs_ks_methods.F559 xc_section => admm_env%xc_section_aux
H A Dresponse_solver.F654 xc_section => admm_env%xc_section_aux