Searched refs:region_section (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | input_cp2k_thermostats.F | 79 NULLIFY (nose_section, region_section) 107 CALL create_region_section(region_section, "slow thermostat") 108 CALL section_add_subsection(section, region_section) 109 CALL section_release(region_section) 155 NULLIFY (nose_section, region_section) 183 CALL create_region_section(region_section, "fast thermostat") 184 CALL section_add_subsection(section, region_section) 185 CALL section_release(region_section) 265 CALL create_region_section(region_section, "thermostat") 266 CALL section_add_subsection(section, region_section) [all …]
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H A D | negf_control_types.F | 214 negf_section, region_section local 232 …region_section => section_vals_get_subs_vals(contact_section, "SCREENING_REGION", i_rep_section=i_… 233 CALL section_vals_get(region_section, explicit=is_explicit) 242 …CALL read_negf_atomlist(negf_control%contacts(i_rep)%atomlist_screening, region_section, 1, subsys) 245 … region_section => section_vals_get_subs_vals(contact_section, "BULK_REGION", i_rep_section=i_rep) 247 CALL section_vals_get(region_section, explicit=is_explicit) 256 … CALL read_negf_atomlist(negf_control%contacts(i_rep)%atomlist_bulk, region_section, 1, subsys) 263 cell_section => section_vals_get_subs_vals(region_section, "CELL") 316 region_section => section_vals_get_subs_vals(negf_section, "SCATTERING_REGION") 317 CALL section_vals_get(region_section, explicit=is_explicit) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | input_cp2k_thermostats.F | 79 NULLIFY (nose_section, region_section) 107 CALL create_region_section(region_section, "slow thermostat") 108 CALL section_add_subsection(section, region_section) 109 CALL section_release(region_section) 155 NULLIFY (nose_section, region_section) 183 CALL create_region_section(region_section, "fast thermostat") 184 CALL section_add_subsection(section, region_section) 185 CALL section_release(region_section) 265 CALL create_region_section(region_section, "thermostat") 266 CALL section_add_subsection(section, region_section) [all …]
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H A D | negf_control_types.F | 214 negf_section, region_section local 232 …region_section => section_vals_get_subs_vals(contact_section, "SCREENING_REGION", i_rep_section=i_… 233 CALL section_vals_get(region_section, explicit=is_explicit) 242 …CALL read_negf_atomlist(negf_control%contacts(i_rep)%atomlist_screening, region_section, 1, subsys) 245 … region_section => section_vals_get_subs_vals(contact_section, "BULK_REGION", i_rep_section=i_rep) 247 CALL section_vals_get(region_section, explicit=is_explicit) 256 … CALL read_negf_atomlist(negf_control%contacts(i_rep)%atomlist_bulk, region_section, 1, subsys) 263 cell_section => section_vals_get_subs_vals(region_section, "CELL") 316 region_section => section_vals_get_subs_vals(negf_section, "SCATTERING_REGION") 317 CALL section_vals_get(region_section, explicit=is_explicit) [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
H A D | input_cp2k_md.F | 961 TYPE(section_type), POINTER :: print_key, region_section, subsection local 975 NULLIFY (region_section) 995 CALL section_create(region_section, __LOCATION__, name="DEFINE_REGION", & 1004 CALL section_add_keyword(region_section, keyword) 1013 CALL section_add_keyword(region_section, keyword) 1021 CALL section_add_keyword(region_section, keyword) 1030 CALL section_add_keyword(region_section, keyword) 1041 CALL section_add_keyword(region_section, keyword) 1044 CALL section_add_subsection(section, region_section) 1045 CALL section_release(region_section)
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
H A D | input_cp2k_md.F | 961 TYPE(section_type), POINTER :: print_key, region_section, subsection local 975 NULLIFY (region_section) 995 CALL section_create(region_section, __LOCATION__, name="DEFINE_REGION", & 1004 CALL section_add_keyword(region_section, keyword) 1013 CALL section_add_keyword(region_section, keyword) 1021 CALL section_add_keyword(region_section, keyword) 1030 CALL section_add_keyword(region_section, keyword) 1041 CALL section_add_keyword(region_section, keyword) 1044 CALL section_add_subsection(section, region_section) 1045 CALL section_release(region_section)
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