Searched refs:nadd_unocc (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | stm_images.F | 105 INTEGER, DIMENSION(:), POINTER :: nadd_unocc, stm_th_torb local
168 ALLOCATE (nadd_unocc(nspin))
169 nadd_unocc = 0
172 nadd_unocc(ispin) = SIZE(unoccupied_evals(ispin)%array)
180 IF (nadd_unocc(ispin) == 0) THEN
189 ndim = nmo + nadd_unocc(ispin)
192 evals(ispin)%array(1 + nmo:ndim) = unoccupied_evals(ispin)%array(1:nadd_unocc(ispin))
202 nadd_unocc(ispin), 1, nmo + 1)
211 IF (nadd_unocc(ispin) > 0) THEN
226 DEALLOCATE (nadd_unocc)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | stm_images.F | 105 INTEGER, DIMENSION(:), POINTER :: nadd_unocc, stm_th_torb local
168 ALLOCATE (nadd_unocc(nspin))
169 nadd_unocc = 0
172 nadd_unocc(ispin) = SIZE(unoccupied_evals(ispin)%array)
180 IF (nadd_unocc(ispin) == 0) THEN
189 ndim = nmo + nadd_unocc(ispin)
192 evals(ispin)%array(1 + nmo:ndim) = unoccupied_evals(ispin)%array(1:nadd_unocc(ispin))
202 nadd_unocc(ispin), 1, nmo + 1)
211 IF (nadd_unocc(ispin) > 0) THEN
226 DEALLOCATE (nadd_unocc)
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