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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dtopology_types.F68 … INTEGER, POINTER :: fixed_atoms(:), fixed_type(:), fixed_mol_type(:) component
319 NULLIFY (constraint_info%fixed_mol_type)
570 IF (ASSOCIATED(constraint_info%fixed_mol_type)) THEN
571 DEALLOCATE (constraint_info%fixed_mol_type)
H A Dtopology_input.F382 ALLOCATE (cons_info%fixed_mol_type(isize))
422 CALL reallocate(cons_info%fixed_mol_type, 1, msize + SIZE(tmpstringlist, 1))
426 cons_info%fixed_mol_type(msize + 1:msize + SIZE(tmpstringlist, 1)) = itype
H A Dtopology_constraint_util.F670 itype = cons_info%fixed_mol_type(k1loc)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dtopology_types.F68 … INTEGER, POINTER :: fixed_atoms(:), fixed_type(:), fixed_mol_type(:) component
319 NULLIFY (constraint_info%fixed_mol_type)
570 IF (ASSOCIATED(constraint_info%fixed_mol_type)) THEN
571 DEALLOCATE (constraint_info%fixed_mol_type)
H A Dtopology_input.F382 ALLOCATE (cons_info%fixed_mol_type(isize))
422 CALL reallocate(cons_info%fixed_mol_type, 1, msize + SIZE(tmpstringlist, 1))
426 cons_info%fixed_mol_type(msize + 1:msize + SIZE(tmpstringlist, 1)) = itype
H A Dtopology_constraint_util.F670 itype = cons_info%fixed_mol_type(k1loc)