Searched refs:only_qm (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_ff_fist.F | 36 FUNCTION qmmm_ff_precond_only_qm(id1, id2, id3, id4, is_link) RESULT(only_qm)
42 LOGICAL :: only_qm local
48 only_qm = .FALSE.
53 only_qm = .TRUE.
62 IF (INDEX(id2, "_QM_") == 0) only_qm = .FALSE.
75 IF (INDEX(id3, "_QM_") == 0) only_qm = .FALSE.
88 IF (INDEX(id4, "_QM_") == 0) only_qm = .FALSE.
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| H A D | force_fields_all.F | 810 LOGICAL :: found, only_qm local
915 IF (only_qm) THEN
1094 IF (only_qm) THEN
1230 IF (only_qm) THEN
1488 IF (only_qm) THEN
1691 IF (only_qm) THEN
1821 IF (only_qm) THEN
1937 IF (only_qm .AND. my_qmmm) THEN
2086 IF (only_qm .AND. my_qmmm) THEN
2818 IF (only_qm) THEN
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_ff_fist.F | 36 FUNCTION qmmm_ff_precond_only_qm(id1, id2, id3, id4, is_link) RESULT(only_qm)
42 LOGICAL :: only_qm local
48 only_qm = .FALSE.
53 only_qm = .TRUE.
62 IF (INDEX(id2, "_QM_") == 0) only_qm = .FALSE.
75 IF (INDEX(id3, "_QM_") == 0) only_qm = .FALSE.
88 IF (INDEX(id4, "_QM_") == 0) only_qm = .FALSE.
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| H A D | force_fields_all.F | 810 LOGICAL :: found, only_qm local
915 IF (only_qm) THEN
1094 IF (only_qm) THEN
1230 IF (only_qm) THEN
1488 IF (only_qm) THEN
1691 IF (only_qm) THEN
1821 IF (only_qm) THEN
1937 IF (only_qm .AND. my_qmmm) THEN
2086 IF (only_qm .AND. my_qmmm) THEN
2818 IF (only_qm) THEN
[all …]
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