Searched refs:fixed_mol_type (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | topology_types.F | 68 … 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)
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H A D | topology_input.F | 382 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
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H A D | topology_constraint_util.F | 670 itype = cons_info%fixed_mol_type(k1loc)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | topology_types.F | 68 … 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)
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H A D | topology_input.F | 382 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
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H A D | topology_constraint_util.F | 670 itype = cons_info%fixed_mol_type(k1loc)
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