/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | input_restart_force_eval.F | 99 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", &
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H A D | environment.F | 516 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", &
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H A D | f77_interface.F | 592 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
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H A D | mixed_cdft_utils.F | 674 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 …]
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H A D | force_env_types.F | 671 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)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | input_restart_force_eval.F | 98 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", &
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H A D | environment.F | 513 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", &
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H A D | f77_interface.F | 590 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
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H A D | mixed_cdft_utils.F | 674 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 …]
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H A D | force_env_types.F | 671 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
H A D | input_cp2k_restarts.F | 227 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", &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
H A D | input_cp2k_restarts.F | 225 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", &
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