Searched refs:cdft_constraint_section (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_cdft_utils.F | 133 TYPE(section_vals_type), POINTER :: cdft_constraint_section local 136 particle_set, logger, cdft_constraint_section, qs_kind_set, & 147 cdft_constraint_section => section_vals_get_subs_vals(qs_env%input, "DFT%QS%CDFT") 431 unit_nr = cp_print_key_unit_nr(logger, cdft_constraint_section, "PROGRAM_RUN_INFO", & 1126 TYPE(section_vals_type), POINTER :: cdft_constraint_section local 1128 NULLIFY (cdft_constraint_section, logger, particle_set, dft_control, qs_kind_set) 1137 cdft_constraint_section => section_vals_get_subs_vals(qs_env%input, "DFT%QS%CDFT") 1291 TYPE(section_vals_type), POINTER :: cdft_constraint_section local 1293 NULLIFY (cdft_constraint_section, logger, particles, dft_control, & 1300 cdft_constraint_section => section_vals_get_subs_vals(qs_env%input, "DFT%QS%CDFT") [all …]
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H A D | qs_cdft_methods.F | 799 TYPE(section_vals_type), POINTER :: cdft_constraint_section local 802 logger, cdft_constraint_section, qs_kind_set, mp_rho, & 815 cdft_constraint_section => section_vals_get_subs_vals(qs_env%input, "DFT%QS%CDFT") 816 …iw = cp_print_key_unit_nr(logger, cdft_constraint_section, "PROGRAM_RUN_INFO", extension=".cdftLog… 954 CALL cp_print_key_finished_output(iw, logger, cdft_constraint_section, "PROGRAM_RUN_INFO")
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_cdft_utils.F | 132 TYPE(section_vals_type), POINTER :: cdft_constraint_section local 135 particle_set, logger, cdft_constraint_section, qs_kind_set, & 146 cdft_constraint_section => section_vals_get_subs_vals(qs_env%input, "DFT%QS%CDFT") 425 unit_nr = cp_print_key_unit_nr(logger, cdft_constraint_section, "PROGRAM_RUN_INFO", & 1120 TYPE(section_vals_type), POINTER :: cdft_constraint_section local 1122 NULLIFY (cdft_constraint_section, logger, particle_set, dft_control, qs_kind_set) 1131 cdft_constraint_section => section_vals_get_subs_vals(qs_env%input, "DFT%QS%CDFT") 1285 TYPE(section_vals_type), POINTER :: cdft_constraint_section local 1287 NULLIFY (cdft_constraint_section, logger, particles, dft_control, & 1294 cdft_constraint_section => section_vals_get_subs_vals(qs_env%input, "DFT%QS%CDFT") [all …]
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H A D | qs_cdft_methods.F | 798 TYPE(section_vals_type), POINTER :: cdft_constraint_section local 801 logger, cdft_constraint_section, qs_kind_set, mp_rho, & 814 cdft_constraint_section => section_vals_get_subs_vals(qs_env%input, "DFT%QS%CDFT") 815 …iw = cp_print_key_unit_nr(logger, cdft_constraint_section, "PROGRAM_RUN_INFO", extension=".cdftLog… 953 CALL cp_print_key_finished_output(iw, logger, cdft_constraint_section, "PROGRAM_RUN_INFO")
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