| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atom.F | 48 INTEGER :: handle, iw, run_type_id local
64 CALL section_vals_val_get(atom_section, "RUN_TYPE", i_val=run_type_id)
65 SELECT CASE (run_type_id)
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| H A D | global_types.F | 76 INTEGER :: run_type_id !! index to define the run_tupe component
102 globenv%run_type_id = 0
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| H A D | environment.F | 540 CALL section_vals_val_get(global_section, "RUN_TYPE", i_val=globenv%run_type_id)
599 IF (globenv%run_type_id == 0) THEN
602 globenv%run_type_id = none_run
607 globenv%run_type_id = mol_dyn_run
612 globenv%run_type_id = mol_dyn_run
614 globenv%run_type_id = mol_dyn_run
616 globenv%run_type_id = energy_run
618 globenv%run_type_id = energy_run
624 IF (globenv%prog_name_id == do_farming .AND. globenv%run_type_id /= none_run) THEN
628 IF (globenv%prog_name_id == do_test .AND. globenv%run_type_id /= none_run) &
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| H A D | qs_environment_types.F | 969 qs_env%single_point_run = (globenv%run_type_id == energy_run .OR. &
970 globenv%run_type_id == energy_force_run)
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| H A D | force_env_methods.F | 657 IF (globenv%run_type_id == debug_run) THEN
704 IF (globenv%run_type_id == debug_run) THEN
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom.F | 48 INTEGER :: handle, iw, run_type_id local
64 CALL section_vals_val_get(atom_section, "RUN_TYPE", i_val=run_type_id)
65 SELECT CASE (run_type_id)
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| H A D | global_types.F | 77 INTEGER :: run_type_id !! index to define the run_tupe component
103 globenv%run_type_id = 0
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| H A D | environment.F | 543 CALL section_vals_val_get(global_section, "RUN_TYPE", i_val=globenv%run_type_id)
602 IF (globenv%run_type_id == 0) THEN
605 globenv%run_type_id = none_run
610 globenv%run_type_id = mol_dyn_run
615 globenv%run_type_id = mol_dyn_run
617 globenv%run_type_id = mol_dyn_run
619 globenv%run_type_id = energy_run
621 globenv%run_type_id = energy_run
627 IF (globenv%prog_name_id == do_farming .AND. globenv%run_type_id /= none_run) THEN
631 IF (globenv%prog_name_id == do_test .AND. globenv%run_type_id /= none_run) &
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| H A D | qs_environment_types.F | 947 qs_env%single_point_run = (globenv%run_type_id == energy_run .OR. &
948 globenv%run_type_id == energy_force_run)
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| H A D | force_env_methods.F | 666 IF (globenv%run_type_id == debug_run) THEN
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/ |
| H A D | cp2k_runs.F | 180 prog_name_id, run_type_id local
229 i_val=run_type_id)
252 globenv%run_type_id = none_run
274 globenv%run_type_id = none_run
301 SELECT CASE (globenv%run_type_id)
327 SELECT CASE (globenv%run_type_id)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/start/ |
| H A D | cp2k_runs.F | 180 prog_name_id, run_type_id local
231 i_val=run_type_id)
254 globenv%run_type_id = none_run
275 globenv%run_type_id = none_run
302 SELECT CASE (globenv%run_type_id)
328 SELECT CASE (globenv%run_type_id)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
| H A D | md_run.F | 187 INTEGER :: handle, i, istep, md_stride, run_type_id local
228 CALL section_vals_val_get(global_section, "RUN_TYPE", i_val=run_type_id)
229 IF (run_type_id == ehrenfest) CALL set_md_env(md_env, ehrenfest_md=.TRUE.)
514 IF (run_type_id == ehrenfest) THEN
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| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
| H A D | md_run.F | 187 INTEGER :: handle, i, istep, md_stride, run_type_id local
228 CALL section_vals_val_get(global_section, "RUN_TYPE", i_val=run_type_id)
229 IF (run_type_id == ehrenfest) CALL set_md_env(md_env, ehrenfest_md=.TRUE.)
514 IF (run_type_id == ehrenfest) THEN
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
| H A D | tamc_run.F | 164 output_unit, rand2skip, run_type_id local
229 CALL section_vals_val_get(global_section, "RUN_TYPE", i_val=run_type_id)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
| H A D | tamc_run.F | 167 output_unit, rand2skip, run_type_id local
232 CALL section_vals_val_get(global_section, "RUN_TYPE", i_val=run_type_id)
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