Searched refs:xc_section_aux (Results 1 – 14 of 14) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | admm_types.F | 119 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 D | hfx_admm_utils.F | 629 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 D | admm_methods.F | 1418 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 D | mp2.F | 1453 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 D | qs_ks_methods.F | 549 xc_section => admm_env%xc_section_aux
|
H A D | qs_tddfpt2_methods.F | 497 xc_section=admm_env%xc_section_aux, &
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | admm_types.F | 144 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 D | hfx_admm_utils.F | 808 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 D | admm_methods.F | 1667 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 D | qs_tddfpt2_methods.F | 224 xc_section=admm_env%xc_section_aux, &
|
H A D | mp2.F | 1454 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 D | qs_linres_methods.F | 1778 xc_section => admm_env%xc_section_aux 2068 xc_section => admm_env%xc_section_aux
|
H A D | qs_ks_methods.F | 559 xc_section => admm_env%xc_section_aux
|
H A D | response_solver.F | 654 xc_section => admm_env%xc_section_aux
|