Searched refs:ignore_excited (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mixed_cdft_utils.F | 1635 LOGICAL, INTENT(OUT) :: ignore_excited local
1672 CALL section_vals_val_get(block_section, "IGNORE_EXCITED", l_val=ignore_excited)
1710 IF (nrecursion /= 1 .AND. .NOT. ignore_excited) &
1854 LOGICAL :: ignore_excited local
1861 ignore_excited = (nblk == n)
1881 IF (ignore_excited .AND. j == 1) EXIT
1926 IF (ignore_excited) THEN
1953 IF (ignore_excited) EXIT
1960 IF (ignore_excited) EXIT
1971 IF (ignore_excited) EXIT
[all …]
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| H A D | mixed_cdft_methods.F | 1899 LOGICAL :: ignore_excited local
1929 CALL mixed_cdft_read_block_diag(force_env, blocks, ignore_excited, nrecursion)
1938 WRITE (iounit, '(T3,A,L3)') 'Ignoring excited states within blocks:', ignore_excited
1973 IF (ignore_excited) THEN
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mixed_cdft_utils.F | 1635 LOGICAL, INTENT(OUT) :: ignore_excited local
1672 CALL section_vals_val_get(block_section, "IGNORE_EXCITED", l_val=ignore_excited)
1710 IF (nrecursion /= 1 .AND. .NOT. ignore_excited) &
1854 LOGICAL :: ignore_excited local
1861 ignore_excited = (nblk == n)
1881 IF (ignore_excited .AND. j == 1) EXIT
1926 IF (ignore_excited) THEN
1953 IF (ignore_excited) EXIT
1960 IF (ignore_excited) EXIT
1971 IF (ignore_excited) EXIT
[all …]
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| H A D | mixed_cdft_methods.F | 1898 LOGICAL :: ignore_excited local
1928 CALL mixed_cdft_read_block_diag(force_env, blocks, ignore_excited, nrecursion)
1937 WRITE (iounit, '(T3,A,L3)') 'Ignoring excited states within blocks:', ignore_excited
1972 IF (ignore_excited) THEN
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