Home
last modified time | relevance | path

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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dtopology_input.F385 ALLOCATE (cons_info%fixed_exclude_qm(ncons))
430 CALL reallocate(cons_info%fixed_exclude_qm, 1, msize)
433 l_val=cons_info%fixed_exclude_qm(msize_old + 1))
436 … cons_info%fixed_exclude_qm(msize_old + 1:msize) = cons_info%fixed_exclude_qm(msize_old + 1)
H A Dtopology_types.F79 LOGICAL, POINTER, DIMENSION(:) :: fixed_exclude_qm, fixed_exclude_mm component
325 NULLIFY (constraint_info%fixed_exclude_qm, constraint_info%fixed_exclude_mm)
585 IF (ASSOCIATED(constraint_info%fixed_exclude_qm)) THEN
586 DEALLOCATE (constraint_info%fixed_exclude_qm)
H A Dtopology_constraint_util.F632 IF (is_qm .AND. cons_info%fixed_exclude_qm(k)) fix_atom_molname = .FALSE.
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dtopology_input.F385 ALLOCATE (cons_info%fixed_exclude_qm(ncons))
430 CALL reallocate(cons_info%fixed_exclude_qm, 1, msize)
433 l_val=cons_info%fixed_exclude_qm(msize_old + 1))
436 … cons_info%fixed_exclude_qm(msize_old + 1:msize) = cons_info%fixed_exclude_qm(msize_old + 1)
H A Dtopology_types.F79 LOGICAL, POINTER, DIMENSION(:) :: fixed_exclude_qm, fixed_exclude_mm component
325 NULLIFY (constraint_info%fixed_exclude_qm, constraint_info%fixed_exclude_mm)
585 IF (ASSOCIATED(constraint_info%fixed_exclude_qm)) THEN
586 DEALLOCATE (constraint_info%fixed_exclude_qm)
H A Dtopology_constraint_util.F632 IF (is_qm .AND. cons_info%fixed_exclude_qm(k)) fix_atom_molname = .FALSE.