Searched refs:ddapc_restraint_section (Results 1 – 6 of 6) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | cp_control_utils.F | 624 TYPE(section_vals_type), POINTER :: cdft_control_section, ddapc_restraint_section, & local
631 NULLIFY (mull_section, ddapc_restraint_section, s2_restraint_section, &
636 ddapc_restraint_section => section_vals_get_subs_vals(qs_section, "DDAPC_RESTRAINT")
860 …CALL section_vals_get(ddapc_restraint_section, n_repetition=nrep, explicit=qs_control%ddapc_restra…
1810 SUBROUTINE read_ddapc_section(qs_control, qs_section, ddapc_restraint_section) argument
1813 TYPE(section_vals_type), OPTIONAL, POINTER :: qs_section, ddapc_restraint_section local
1824 IF (PRESENT(ddapc_restraint_section)) THEN
1829 ddapc_section => ddapc_restraint_section
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| H A D | qs_energy_utils.F | 280 ddapc_restraint_section=rest_b_section)
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| H A D | qs_environment.F | 636 CALL read_ddapc_section(dft_control%qs_control, ddapc_restraint_section=et_ddapc_section)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | cp_control_utils.F | 607 TYPE(section_vals_type), POINTER :: cdft_control_section, ddapc_restraint_section, & local
614 NULLIFY (mull_section, ddapc_restraint_section, s2_restraint_section, &
619 ddapc_restraint_section => section_vals_get_subs_vals(qs_section, "DDAPC_RESTRAINT")
850 …CALL section_vals_get(ddapc_restraint_section, n_repetition=nrep, explicit=qs_control%ddapc_restra…
1768 SUBROUTINE read_ddapc_section(qs_control, qs_section, ddapc_restraint_section) argument
1771 TYPE(section_vals_type), OPTIONAL, POINTER :: qs_section, ddapc_restraint_section local
1782 IF (PRESENT(ddapc_restraint_section)) THEN
1787 ddapc_section => ddapc_restraint_section
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| H A D | qs_energy_utils.F | 280 ddapc_restraint_section=rest_b_section)
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| H A D | qs_environment.F | 616 CALL read_ddapc_section(dft_control%qs_control, ddapc_restraint_section=et_ddapc_section)
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