Searched refs:fixed_molnames (Results 1 – 6 of 6) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | topology_types.F | 78 CHARACTER(LEN=default_string_length), POINTER :: fixed_molnames(:) component
320 NULLIFY (constraint_info%fixed_molnames)
567 IF (ASSOCIATED(constraint_info%fixed_molnames)) THEN
568 DEALLOCATE (constraint_info%fixed_molnames)
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| H A D | topology_constraint_util.F | 611 ALLOCATE (missed_molname(SIZE(cons_info%fixed_molnames, 1)))
619 WHERE (molname .EQ. cons_info%fixed_molnames)
628 IF (ASSOCIATED(cons_info%fixed_molnames)) THEN
629 DO k = 1, SIZE(cons_info%fixed_molnames)
630 IF (cons_info%fixed_molnames(k) .EQ. molname) THEN
666 IF (ASSOCIATED(cons_info%fixed_molnames)) THEN
667 DO k1loc = 1, SIZE(cons_info%fixed_molnames)
668 IF (cons_info%fixed_molnames(k1loc) .EQ. molname) THEN
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| H A D | topology_input.F | 381 ALLOCATE (cons_info%fixed_molnames(msize))
421 CALL reallocate(cons_info%fixed_molnames, 1, msize + SIZE(tmpstringlist, 1))
425 … cons_info%fixed_molnames(msize + 1:msize + SIZE(tmpstringlist, 1)) = tmpstringlist
427 msize = SIZE(cons_info%fixed_molnames)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | topology_types.F | 78 CHARACTER(LEN=default_string_length), POINTER :: fixed_molnames(:) component
320 NULLIFY (constraint_info%fixed_molnames)
567 IF (ASSOCIATED(constraint_info%fixed_molnames)) THEN
568 DEALLOCATE (constraint_info%fixed_molnames)
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| H A D | topology_constraint_util.F | 611 ALLOCATE (missed_molname(SIZE(cons_info%fixed_molnames, 1)))
619 WHERE (molname .EQ. cons_info%fixed_molnames)
628 IF (ASSOCIATED(cons_info%fixed_molnames)) THEN
629 DO k = 1, SIZE(cons_info%fixed_molnames)
630 IF (cons_info%fixed_molnames(k) .EQ. molname) THEN
666 IF (ASSOCIATED(cons_info%fixed_molnames)) THEN
667 DO k1loc = 1, SIZE(cons_info%fixed_molnames)
668 IF (cons_info%fixed_molnames(k1loc) .EQ. molname) THEN
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| H A D | topology_input.F | 381 ALLOCATE (cons_info%fixed_molnames(msize))
421 CALL reallocate(cons_info%fixed_molnames, 1, msize + SIZE(tmpstringlist, 1))
425 … cons_info%fixed_molnames(msize + 1:msize + SIZE(tmpstringlist, 1)) = tmpstringlist
427 msize = SIZE(cons_info%fixed_molnames)
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