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Searched refs:force_env_sections (Results 1 – 12 of 12) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dinput_restart_force_eval.F99 force_env_sections, qmmm_section, & local
112 force_env_sections => section_vals_get_subs_vals(root_section, "FORCE_EVAL")
113 CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval)
117 subsys_section => section_vals_get_subs_vals3(force_env_sections, "SUBSYS", &
127 subsys_section => section_vals_get_subs_vals3(force_env_sections, "SUBSYS", &
138 qmmm_section => section_vals_get_subs_vals3(force_env_sections, "QMMM", &
147 dft_section => section_vals_get_subs_vals3(force_env_sections, "DFT", &
166 subsys_section => section_vals_get_subs_vals3(force_env_sections, "SUBSYS", &
176 dft_section => section_vals_get_subs_vals3(force_env_sections, "DFT", &
H A Denvironment.F516 TYPE(section_vals_type), POINTER :: dft_section, force_env_sections, & local
560 force_env_sections => section_vals_get_subs_vals(root_section, "FORCE_EVAL")
561 CALL section_vals_get(force_env_sections, n_repetition=nforce_eval)
612 CALL section_vals_val_get(force_env_sections, "METHOD", i_val=method_name_id)
700 CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval)
702 dft_section => section_vals_get_subs_vals3(force_env_sections, "DFT", &
704 qmmm_section => section_vals_get_subs_vals3(force_env_sections, "QMMM", &
714 subsys_section => section_vals_get_subs_vals3(force_env_sections, "SUBSYS", &
H A Df77_interface.F592 TYPE(section_vals_type), POINTER :: fe_section, force_env_section, force_env_sections, & local
696 force_env_sections => section_vals_get_subs_vals(root_section, "FORCE_EVAL")
699 CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval)
703 wrk_section => section_vals_get_subs_vals(force_env_sections, "SUBSYS", &
715 subsys_section => section_vals_get_subs_vals(force_env_sections, "SUBSYS", &
721 CALL section_vals_val_get(force_env_sections, "METHOD", i_val=method_name_id, &
763 CALL section_vals_duplicate(force_env_sections, force_env_section, &
767 force_env_section => force_env_sections
H A Dmixed_cdft_utils.F674 TYPE(section_vals_type), POINTER :: force_env_section, force_env_sections, kind_section, & local
793 NULLIFY (root_section, force_env_section, force_env_sections, rs_grid_section)
795 force_env_sections => section_vals_get_subs_vals(root_section, "FORCE_EVAL")
796 CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, n_force_eval)
797 CALL section_vals_duplicate(force_env_sections, force_env_section, &
813 subsys_section => section_vals_get_subs_vals(force_env_sections, "SUBSYS", &
994 NULLIFY (root_section, force_env_section, force_env_sections, rs_grid_section)
996 force_env_sections => section_vals_get_subs_vals(root_section, "FORCE_EVAL")
997 CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, n_force_eval)
998 CALL section_vals_duplicate(force_env_sections, force_env_section, &
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H A Dforce_env_types.F671 SUBROUTINE multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval) argument
673 TYPE(section_vals_type), POINTER :: force_env_sections, root_section local
685 CALL section_vals_get(force_env_sections, n_repetition=nforce_eval)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dinput_restart_force_eval.F98 force_env_sections, qmmm_section, & local
111 force_env_sections => section_vals_get_subs_vals(root_section, "FORCE_EVAL")
112 CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval)
116 subsys_section => section_vals_get_subs_vals3(force_env_sections, "SUBSYS", &
126 subsys_section => section_vals_get_subs_vals3(force_env_sections, "SUBSYS", &
137 qmmm_section => section_vals_get_subs_vals3(force_env_sections, "QMMM", &
146 dft_section => section_vals_get_subs_vals3(force_env_sections, "DFT", &
165 subsys_section => section_vals_get_subs_vals3(force_env_sections, "SUBSYS", &
175 dft_section => section_vals_get_subs_vals3(force_env_sections, "DFT", &
H A Denvironment.F513 TYPE(section_vals_type), POINTER :: dft_section, force_env_sections, & local
557 force_env_sections => section_vals_get_subs_vals(root_section, "FORCE_EVAL")
558 CALL section_vals_get(force_env_sections, n_repetition=nforce_eval)
609 CALL section_vals_val_get(force_env_sections, "METHOD", i_val=method_name_id)
697 CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval)
699 dft_section => section_vals_get_subs_vals3(force_env_sections, "DFT", &
701 qmmm_section => section_vals_get_subs_vals3(force_env_sections, "QMMM", &
711 subsys_section => section_vals_get_subs_vals3(force_env_sections, "SUBSYS", &
H A Df77_interface.F590 TYPE(section_vals_type), POINTER :: fe_section, force_env_section, force_env_sections, & local
694 force_env_sections => section_vals_get_subs_vals(root_section, "FORCE_EVAL")
697 CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval)
701 wrk_section => section_vals_get_subs_vals(force_env_sections, "SUBSYS", &
713 subsys_section => section_vals_get_subs_vals(force_env_sections, "SUBSYS", &
719 CALL section_vals_val_get(force_env_sections, "METHOD", i_val=method_name_id, &
761 CALL section_vals_duplicate(force_env_sections, force_env_section, &
765 force_env_section => force_env_sections
H A Dmixed_cdft_utils.F674 TYPE(section_vals_type), POINTER :: force_env_section, force_env_sections, kind_section, & local
793 NULLIFY (root_section, force_env_section, force_env_sections, rs_grid_section)
795 force_env_sections => section_vals_get_subs_vals(root_section, "FORCE_EVAL")
796 CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, n_force_eval)
797 CALL section_vals_duplicate(force_env_sections, force_env_section, &
813 subsys_section => section_vals_get_subs_vals(force_env_sections, "SUBSYS", &
994 NULLIFY (root_section, force_env_section, force_env_sections, rs_grid_section)
996 force_env_sections => section_vals_get_subs_vals(root_section, "FORCE_EVAL")
997 CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, n_force_eval)
998 CALL section_vals_duplicate(force_env_sections, force_env_section, &
[all …]
H A Dforce_env_types.F671 SUBROUTINE multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval) argument
673 TYPE(section_vals_type), POINTER :: force_env_sections, root_section local
685 CALL section_vals_get(force_env_sections, n_repetition=nforce_eval)
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/
H A Dinput_cp2k_restarts.F227 TYPE(section_vals_type), POINTER :: force_env_sections, subsys_section, & local
249 force_env_sections => section_vals_get_subs_vals(root_section, "FORCE_EVAL")
250 CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval)
253 subsys_section => section_vals_get_subs_vals3(force_env_sections, "SUBSYS", &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/
H A Dinput_cp2k_restarts.F225 TYPE(section_vals_type), POINTER :: force_env_sections, subsys_section, & local
247 force_env_sections => section_vals_get_subs_vals(root_section, "FORCE_EVAL")
248 CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval)
251 subsys_section => section_vals_get_subs_vals3(force_env_sections, "SUBSYS", &