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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dtopology_types.F73 …LOGICAL :: fixed_mm_restraint, fixed_qm_restraint ! Restrain… component
H A Dtopology_input.F474 is_restraint=cons_info%fixed_qm_restraint, &
H A Dtopology_constraint_util.F744 fixd_list(kk)%restraint%active = cons_info%fixed_qm_restraint
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dtopology_types.F73 …LOGICAL :: fixed_mm_restraint, fixed_qm_restraint ! Restrain… component
H A Dtopology_input.F474 is_restraint=cons_info%fixed_qm_restraint, &
H A Dtopology_constraint_util.F744 fixd_list(kk)%restraint%active = cons_info%fixed_qm_restraint