Searched refs:dft_plus_u_atom (Results 1 – 6 of 6) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | dft_plus_u.F | 220 LOGICAL :: debug, dft_plus_u_atom, & local
456 dft_plus_u_atom=dft_plus_u_atom, &
472 IF (.NOT. dft_plus_u_atom) CYCLE
870 LOGICAL :: debug, dft_plus_u_atom, found, & local
1070 dft_plus_u_atom=dft_plus_u_atom, &
1087 IF (.NOT. dft_plus_u_atom) CYCLE
1524 LOGICAL :: dft_plus_u_atom, found, just_energy local
1729 dft_plus_u_atom=dft_plus_u_atom, &
1740 IF (.NOT. dft_plus_u_atom) CYCLE
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| H A D | qs_scf_initialization.F | 934 LOGICAL :: dft_plus_u_atom, do_kpoints, & local
1036 dft_plus_u_atom=dft_plus_u_atom, &
1039 IF (dft_plus_u_atom .AND. (u_ramping /= 0.0_dp)) THEN
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| H A D | qs_kind_types.F | 432 dft_plus_u_atom, l_of_dft_plus_u, u_minus_j, dispersion, & argument
465 LOGICAL, INTENT(OUT), OPTIONAL :: dft_plus_u_atom local
664 IF (PRESENT(dft_plus_u_atom)) dft_plus_u_atom = ASSOCIATED(qs_kind%dft_plus_u)
831 LOGICAL :: dft_plus_u_atom, paw_atom local
895 dft_plus_u_atom=dft_plus_u_atom, &
1130 IF (dft_plus_u_atom) THEN
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | dft_plus_u.F | 220 LOGICAL :: debug, dft_plus_u_atom, & local
456 dft_plus_u_atom=dft_plus_u_atom, &
472 IF (.NOT. dft_plus_u_atom) CYCLE
870 LOGICAL :: debug, dft_plus_u_atom, found, & local
1070 dft_plus_u_atom=dft_plus_u_atom, &
1087 IF (.NOT. dft_plus_u_atom) CYCLE
1524 LOGICAL :: dft_plus_u_atom, found, just_energy local
1729 dft_plus_u_atom=dft_plus_u_atom, &
1740 IF (.NOT. dft_plus_u_atom) CYCLE
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| H A D | qs_scf_initialization.F | 910 LOGICAL :: dft_plus_u_atom, do_kpoints, & local
1012 dft_plus_u_atom=dft_plus_u_atom, &
1015 IF (dft_plus_u_atom .AND. (u_ramping /= 0.0_dp)) THEN
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| H A D | qs_kind_types.F | 430 dft_plus_u_atom, l_of_dft_plus_u, u_minus_j, dispersion, & argument
463 LOGICAL, INTENT(OUT), OPTIONAL :: dft_plus_u_atom local
662 IF (PRESENT(dft_plus_u_atom)) dft_plus_u_atom = ASSOCIATED(qs_kind%dft_plus_u)
827 LOGICAL :: dft_plus_u_atom, paw_atom local
890 dft_plus_u_atom=dft_plus_u_atom, &
1108 IF (dft_plus_u_atom) THEN
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