work_section (reference) in projects: dports

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Searched refs:work_section (Results 1 – 25 of 33) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/motion/
H A D	input_cp2k_restarts.F	`350 NULLIFY (work_section) 353 CALL section_vals_remove_values(work_section) 356 CALL section_vals_remove_values(work_section) 358 CALL section_vals_remove_values(work_section) 360 CALL section_vals_remove_values(work_section) 362 CALL section_vals_remove_values(work_section) 1453 CPASSERT(ASSOCIATED(work_section)) 1454 CPASSERT(work_section%ref_count > 0) 1458 section => work_section%section 1471 vals => work_section%values(ik, 1)%list [all …]`
H A D	wiener_process.F	`80 work_section local 83 NULLIFY (work_section, force_env) 144 NULLIFY (work_section) 145 work_section => section_vals_get_subs_vals(section_vals=subsys_section, & 149 work_section=work_section) 163 work_section) argument 167 TYPE(section_vals_type), POINTER :: work_section local 181 IF (ASSOCIATED(work_section)) THEN 182 CALL section_vals_get(work_section, explicit=explicit) 189 CALL section_vals_val_get(section_vals=work_section, &`
H A D	md_run.F	205 free_energy_section, global_section, reftraj_section, subsys_section, work_section local 217 reftraj_section, work_section, atomic_kinds, & 356 work_section => section_vals_get_subs_vals(subsys_section, "VELOCITY") 357 CALL section_vals_remove_values(work_section) 358 work_section => section_vals_get_subs_vals(subsys_section, "SHELL_VELOCITY") 359 CALL section_vals_remove_values(work_section) 360 work_section => section_vals_get_subs_vals(subsys_section, "CORE_VELOCITY") 361 CALL section_vals_remove_values(work_section)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/
H A D	input_cp2k_restarts.F	`348 NULLIFY (work_section) 351 CALL section_vals_remove_values(work_section) 354 CALL section_vals_remove_values(work_section) 356 CALL section_vals_remove_values(work_section) 358 CALL section_vals_remove_values(work_section) 360 CALL section_vals_remove_values(work_section) 1449 CPASSERT(ASSOCIATED(work_section)) 1450 CPASSERT(work_section%ref_count > 0) 1454 section => work_section%section 1467 vals => work_section%values(ik, 1)%list [all …]`
H A D	wiener_process.F	`80 work_section local 83 NULLIFY (work_section, force_env) 144 NULLIFY (work_section) 145 work_section => section_vals_get_subs_vals(section_vals=subsys_section, & 149 work_section=work_section) 163 work_section) argument 167 TYPE(section_vals_type), POINTER :: work_section local 181 IF (ASSOCIATED(work_section)) THEN 182 CALL section_vals_get(work_section, explicit=explicit) 189 CALL section_vals_val_get(section_vals=work_section, &`
H A D	md_run.F	205 free_energy_section, global_section, reftraj_section, subsys_section, work_section local 217 reftraj_section, work_section, atomic_kinds, & 356 work_section => section_vals_get_subs_vals(subsys_section, "VELOCITY") 357 CALL section_vals_remove_values(work_section) 358 work_section => section_vals_get_subs_vals(subsys_section, "SHELL_VELOCITY") 359 CALL section_vals_remove_values(work_section) 360 work_section => section_vals_get_subs_vals(subsys_section, "CORE_VELOCITY") 361 CALL section_vals_remove_values(work_section)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/thermostat/
H A D	thermostat_methods.F	139 work_section local 210 work_section => section_vals_get_subs_vals(adiabatic_fast_section, "NOSE") 268 work_section => section_vals_get_subs_vals(thermo_part_section, "GLE") 356 work_section => thermo_baro_section 371 csvr_section=work_section) 422 TYPE(section_vals_type), POINTER :: work_section local 427 work_section => section_vals_get_subs_vals(section, "NOSE") 429 CALL section_vals_val_set(work_section, "YOSHIDA", i_val=thermostat%nhc%nyosh) 431 CALL section_vals_val_set(work_section, "MTS", i_val=thermostat%nhc%nc) 433 work_section => section_vals_get_subs_vals(section, "CSVR") [all …]
H A D	al_system_init.F	110 TYPE(section_vals_type), POINTER :: work_section local 115 work_section => section_vals_get_subs_vals(section_vals=al_section, & 117 CALL section_vals_get(work_section, explicit=explicit) 120 CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", & 125 … CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", & 136 work_section => section_vals_get_subs_vals(section_vals=al_section, & 138 CALL section_vals_get(work_section, explicit=explicit) 144 CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", & 149 … CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", &
H A D	csvr_system_init.F	149 TYPE(section_vals_type), POINTER :: work_section local 153 work_section => section_vals_get_subs_vals(section_vals=csvr_section, & 155 CALL section_vals_get(work_section, explicit=explicit) 157 CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", & 162 … CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", & 173 work_section => section_vals_get_subs_vals(section_vals=csvr_section, & 176 CALL section_vals_get(work_section, explicit=explicit) 178 CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", & 183 … CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", &
H A D	extended_system_init.F	`120 IF (ASSOCIATED(work_section)) THEN 602 NULLIFY (work_section) 620 CALL section_vals_get(work_section, explicit=explicit) 683 NULLIFY (work_section) 685 CALL section_vals_remove_values(work_section) 686 NULLIFY (work_section) 688 CALL section_vals_remove_values(work_section) 689 NULLIFY (work_section) 691 CALL section_vals_remove_values(work_section) 692 NULLIFY (work_section) [all …]`
H A D	gle_system_dynamics.F	433 TYPE(section_vals_type), POINTER :: work_section local 435 NULLIFY (buffer, work_section) 441 work_section => section_vals_get_subs_vals(gle_section, "S") 442 CALL section_vals_get(work_section, explicit=explicit) 459 NULLIFY (work_section) 460 work_section => section_vals_get_subs_vals(gle_section, "S") 461 CALL section_vals_remove_values(work_section) 465 work_section => section_vals_get_subs_vals(section_vals=gle_section, & 467 CALL section_vals_get(work_section, explicit=explicit) 485 work_section => section_vals_get_subs_vals(section_vals=gle_section, & [all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/thermostat/
H A D	thermostat_methods.F	139 work_section local 210 work_section => section_vals_get_subs_vals(adiabatic_fast_section, "NOSE") 268 work_section => section_vals_get_subs_vals(thermo_part_section, "GLE") 356 work_section => thermo_baro_section 371 csvr_section=work_section) 422 TYPE(section_vals_type), POINTER :: work_section local 427 work_section => section_vals_get_subs_vals(section, "NOSE") 429 CALL section_vals_val_set(work_section, "YOSHIDA", i_val=thermostat%nhc%nyosh) 431 CALL section_vals_val_set(work_section, "MTS", i_val=thermostat%nhc%nc) 433 work_section => section_vals_get_subs_vals(section, "CSVR") [all …]
H A D	al_system_init.F	110 TYPE(section_vals_type), POINTER :: work_section local 115 work_section => section_vals_get_subs_vals(section_vals=al_section, & 117 CALL section_vals_get(work_section, explicit=explicit) 120 CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", & 125 … CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", & 136 work_section => section_vals_get_subs_vals(section_vals=al_section, & 138 CALL section_vals_get(work_section, explicit=explicit) 144 CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", & 149 … CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", &
H A D	csvr_system_init.F	149 TYPE(section_vals_type), POINTER :: work_section local 153 work_section => section_vals_get_subs_vals(section_vals=csvr_section, & 155 CALL section_vals_get(work_section, explicit=explicit) 157 CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", & 162 … CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", & 173 work_section => section_vals_get_subs_vals(section_vals=csvr_section, & 176 CALL section_vals_get(work_section, explicit=explicit) 178 CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", & 183 … CALL section_vals_val_get(section_vals=work_section, keyword_name="_DEFAULT_KEYWORD_", &
H A D	extended_system_init.F	`121 IF (ASSOCIATED(work_section)) THEN 603 NULLIFY (work_section) 621 CALL section_vals_get(work_section, explicit=explicit) 684 NULLIFY (work_section) 686 CALL section_vals_remove_values(work_section) 687 NULLIFY (work_section) 689 CALL section_vals_remove_values(work_section) 690 NULLIFY (work_section) 692 CALL section_vals_remove_values(work_section) 693 NULLIFY (work_section) [all …]`
H A D	gle_system_dynamics.F	438 TYPE(section_vals_type), POINTER :: work_section local 440 NULLIFY (buffer, work_section) 446 work_section => section_vals_get_subs_vals(gle_section, "S") 447 CALL section_vals_get(work_section, explicit=explicit) 464 NULLIFY (work_section) 465 work_section => section_vals_get_subs_vals(gle_section, "S") 466 CALL section_vals_remove_values(work_section) 470 work_section => section_vals_get_subs_vals(section_vals=gle_section, & 472 CALL section_vals_get(work_section, explicit=explicit) 490 work_section => section_vals_get_subs_vals(section_vals=gle_section, & [all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	topology_multiple_unit_cell.F	53 TYPE(section_vals_type), POINTER :: work_section local 75 work_section => section_vals_get_subs_vals(subsys_section, "VELOCITY") 76 CALL section_vals_get(work_section, explicit=explicit) 78 CALL section_vals_val_get(work_section, '_DEFAULT_KEYWORD_', n_rep_val=nrep) 126 work_section => section_vals_get_subs_vals(subsys_section, "COORD") 127 CALL section_vals_get(work_section, explicit=explicit) 129 CALL section_vals_val_get(work_section, "UNIT", c_val=unit_str) 130 CALL section_vals_val_get(work_section, "SCALED", l_val=scale) 132 CALL section_vals_remove_values(work_section) 134 CALL section_vals_val_set(work_section, "UNIT", c_val=unit_str) [all …]
H A D	input_restart_force_eval.F	315 TYPE(section_vals_type), POINTER :: work_section local 334 work_section => section_vals_get_subs_vals(subsys_section, "COORD") 335 CALL section_vals_val_get(work_section, "UNIT", c_val=unit_str) 336 CALL section_vals_val_get(work_section, "SCALED", l_val=scale) 370 CALL section_vals_remove_values(work_section) 403 work_section => section_vals_get_subs_vals(subsys_section, "CELL") 404 CALL update_cell_section(cell, cell_section=work_section) 416 CALL update_cell_section(cell, cell_section=work_section) 423 IF (SIZE(work_section%values, 2) == 1) EXIT 424 CALL section_vals_add_values(work_section) [all …]
H A D	metadynamics_utils.F	293 TYPE(section_type), POINTER :: section, wall_section, work_section local 387 work_section => section_get_subsection(wall_section, "REFLECTIVE") 388 keyword => section_get_keyword(work_section, "DIRECTION") 393 work_section => section_get_subsection(wall_section, "QUADRATIC") 394 keyword => section_get_keyword(work_section, "DIRECTION") 441 TYPE(section_vals_type), POINTER :: wall_section, work_section local 466 CALL section_vals_val_get(work_section, "K", r_val=metavar%walls(i)%k_quadratic) 468 work_section => section_vals_get_subs_vals(wall_section, "QUARTIC", i_rep_section=i) 470 CALL section_vals_val_get(work_section, "K", r_val=metavar%walls(i)%k_quartic) 479 CALL section_vals_val_get(work_section, "WW", r_val=metavar%walls(i)%ww_gauss) [all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	topology_multiple_unit_cell.F	53 TYPE(section_vals_type), POINTER :: work_section local 75 work_section => section_vals_get_subs_vals(subsys_section, "VELOCITY") 76 CALL section_vals_get(work_section, explicit=explicit) 78 CALL section_vals_val_get(work_section, '_DEFAULT_KEYWORD_', n_rep_val=nrep) 126 work_section => section_vals_get_subs_vals(subsys_section, "COORD") 127 CALL section_vals_get(work_section, explicit=explicit) 129 CALL section_vals_val_get(work_section, "UNIT", c_val=unit_str) 130 CALL section_vals_val_get(work_section, "SCALED", l_val=scale) 132 CALL section_vals_remove_values(work_section) 134 CALL section_vals_val_set(work_section, "UNIT", c_val=unit_str) [all …]
H A D	input_restart_force_eval.F	317 TYPE(section_vals_type), POINTER :: work_section local 336 work_section => section_vals_get_subs_vals(subsys_section, "COORD") 337 CALL section_vals_val_get(work_section, "UNIT", c_val=unit_str) 338 CALL section_vals_val_get(work_section, "SCALED", l_val=scale) 372 CALL section_vals_remove_values(work_section) 405 work_section => section_vals_get_subs_vals(subsys_section, "CELL") 406 CALL update_cell_section(cell, cell_section=work_section) 418 CALL update_cell_section(cell, cell_section=work_section) 425 IF (SIZE(work_section%values, 2) == 1) EXIT 426 CALL section_vals_add_values(work_section) [all …]
H A D	metadynamics_utils.F	293 TYPE(section_type), POINTER :: section, wall_section, work_section local 387 work_section => section_get_subsection(wall_section, "REFLECTIVE") 388 keyword => section_get_keyword(work_section, "DIRECTION") 393 work_section => section_get_subsection(wall_section, "QUADRATIC") 394 keyword => section_get_keyword(work_section, "DIRECTION") 441 TYPE(section_vals_type), POINTER :: wall_section, work_section local 466 CALL section_vals_val_get(work_section, "K", r_val=metavar%walls(i)%k_quadratic) 468 work_section => section_vals_get_subs_vals(wall_section, "QUARTIC", i_rep_section=i) 470 CALL section_vals_val_get(work_section, "K", r_val=metavar%walls(i)%k_quartic) 479 CALL section_vals_val_get(work_section, "WW", r_val=metavar%walls(i)%ww_gauss) [all …]
H A D	input_cp2k_check.F	976 TYPE(section_vals_type), POINTER :: work_section local 979 NULLIFY (work_section) 980 work_section => section_vals_get_subs_vals(input_file, TRIM(tag_section)) 981 CALL section_vals_get(work_section, explicit=explicit1) 982 work_section => section_vals_get_subs_vals(restart_file, TRIM(tag_section)) 983 CALL section_vals_get(work_section, explicit=explicit2) 1005 work_section local 1009 NULLIFY (work_section) 1031 work_section => section_vals_get_subs_vals(motion_section, "FREE_ENERGY%METADYN") 1032 CALL section_vals_get(work_section, explicit=explicit1)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/
H A D	multipole_types.F	80 TYPE(section_vals_type), POINTER :: work_section local 120 work_section => section_vals_get_subs_vals(subsys_section, "MULTIPOLES%DIPOLES") 121 CALL section_vals_get(work_section, explicit=explicit) 123 CALL section_vals_val_get(work_section, "_DEFAULT_KEYWORD_", n_rep_val=n_rep) 126 … CALL section_vals_val_get(work_section, "_DEFAULT_KEYWORD_", i_rep_val=iparticle, r_vals=work) 136 work_section => section_vals_get_subs_vals(subsys_section, "MULTIPOLES%QUADRUPOLES") 137 CALL section_vals_get(work_section, explicit=explicit) 139 CALL section_vals_val_get(work_section, "_DEFAULT_KEYWORD_", n_rep_val=n_rep) 142 … CALL section_vals_val_get(work_section, "_DEFAULT_KEYWORD_", i_rep_val=iparticle, r_vals=work)
/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/
H A D	multipole_types.F	80 TYPE(section_vals_type), POINTER :: work_section local 120 work_section => section_vals_get_subs_vals(subsys_section, "MULTIPOLES%DIPOLES") 121 CALL section_vals_get(work_section, explicit=explicit) 123 CALL section_vals_val_get(work_section, "_DEFAULT_KEYWORD_", n_rep_val=n_rep) 126 … CALL section_vals_val_get(work_section, "_DEFAULT_KEYWORD_", i_rep_val=iparticle, r_vals=work) 136 work_section => section_vals_get_subs_vals(subsys_section, "MULTIPOLES%QUADRUPOLES") 137 CALL section_vals_get(work_section, explicit=explicit) 139 CALL section_vals_val_get(work_section, "_DEFAULT_KEYWORD_", n_rep_val=n_rep) 142 … CALL section_vals_val_get(work_section, "_DEFAULT_KEYWORD_", i_rep_val=iparticle, r_vals=work)