Home
last modified time | relevance | path

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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dtopology_input.F379 ALLOCATE (cons_info%fixed_restraint(isize))
399 CALL reallocate(cons_info%fixed_restraint, 1, isize + SIZE(tmplist))
408 is_restraint=cons_info%fixed_restraint(isize_old + 1), &
412 … cons_info%fixed_restraint(isize_old + 1:isize) = cons_info%fixed_restraint(isize_old + 1)
H A Dtopology_types.F69 LOGICAL, POINTER :: fixed_restraint(:) ! Restraints control component
321 NULLIFY (constraint_info%fixed_restraint)
573 IF (ASSOCIATED(constraint_info%fixed_restraint)) THEN
574 DEALLOCATE (constraint_info%fixed_restraint)
H A Dtopology_constraint_util.F741 fixd_list(kk)%restraint%active = cons_info%fixed_restraint(k2loc)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dtopology_input.F379 ALLOCATE (cons_info%fixed_restraint(isize))
399 CALL reallocate(cons_info%fixed_restraint, 1, isize + SIZE(tmplist))
408 is_restraint=cons_info%fixed_restraint(isize_old + 1), &
412 … cons_info%fixed_restraint(isize_old + 1:isize) = cons_info%fixed_restraint(isize_old + 1)
H A Dtopology_types.F69 LOGICAL, POINTER :: fixed_restraint(:) ! Restraints control component
321 NULLIFY (constraint_info%fixed_restraint)
573 IF (ASSOCIATED(constraint_info%fixed_restraint)) THEN
574 DEALLOCATE (constraint_info%fixed_restraint)
H A Dtopology_constraint_util.F741 fixd_list(kk)%restraint%active = cons_info%fixed_restraint(k2loc)