Searched refs:restraint_section (Results 1 – 6 of 6) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | cp_ddapc.F | 383 restraint_section local
386 NULLIFY (dft_control, restraint_section, force_env_section, particle_set, &
403 … restraint_section => section_vals_get_subs_vals(force_env_section, "DFT%QS%DDAPC_RESTRAINT")
404 iw = cp_print_key_unit_nr(logger, restraint_section, "PROGRAM_RUN_INFO", &
450 CALL cp_print_key_finished_output(iw, logger, restraint_section, &
|
| H A D | cp_ddapc_types.F | 272 poisson_section, printC_section, qmmm_per_section, restraint_section, restraint_sectionB, & local
292 restraint_section => section_vals_get_subs_vals(force_env_section, "DFT%QS%DDAPC_RESTRAINT")
297 CALL section_vals_get(restraint_section, explicit=do_restraint)
|
| H A D | topology_input.F | 593 TYPE(section_vals_type), POINTER :: restraint_section local
599 restraint_section => section_vals_get_subs_vals(cons_section, "RESTRAINT", &
601 CALL section_vals_get(restraint_section, explicit=is_restraint)
603 CALL section_vals_val_get(restraint_section, "K", r_val=k0)
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | cp_ddapc.F | 383 restraint_section local
386 NULLIFY (dft_control, restraint_section, force_env_section, particle_set, &
403 … restraint_section => section_vals_get_subs_vals(force_env_section, "DFT%QS%DDAPC_RESTRAINT")
404 iw = cp_print_key_unit_nr(logger, restraint_section, "PROGRAM_RUN_INFO", &
450 CALL cp_print_key_finished_output(iw, logger, restraint_section, &
|
| H A D | cp_ddapc_types.F | 272 poisson_section, printC_section, qmmm_per_section, restraint_section, restraint_sectionB, & local
292 restraint_section => section_vals_get_subs_vals(force_env_section, "DFT%QS%DDAPC_RESTRAINT")
297 CALL section_vals_get(restraint_section, explicit=do_restraint)
|
| H A D | topology_input.F | 593 TYPE(section_vals_type), POINTER :: restraint_section local
599 restraint_section => section_vals_get_subs_vals(cons_section, "RESTRAINT", &
601 CALL section_vals_get(restraint_section, explicit=is_restraint)
603 CALL section_vals_val_get(restraint_section, "K", r_val=k0)
|