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Searched refs:region_section (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dinput_cp2k_thermostats.F79 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 …]
H A Dnegf_control_types.F214 negf_section, region_section local
232region_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)
245region_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 …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dinput_cp2k_thermostats.F79 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 …]
H A Dnegf_control_types.F214 negf_section, region_section local
232region_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)
245region_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 …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/
H A Dinput_cp2k_md.F961 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)
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/
H A Dinput_cp2k_md.F961 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)