Searched refs:fixed_exclude_qm (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | topology_input.F | 385 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)
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H A D | topology_types.F | 79 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)
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H A D | topology_constraint_util.F | 632 IF (is_qm .AND. cons_info%fixed_exclude_qm(k)) fix_atom_molname = .FALSE.
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | topology_input.F | 385 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)
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H A D | topology_types.F | 79 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)
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H A D | topology_constraint_util.F | 632 IF (is_qm .AND. cons_info%fixed_exclude_qm(k)) fix_atom_molname = .FALSE.
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