Searched refs:eigen_diff_ia (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | bse.F | 327 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: eigen_diff_ia local
331 ALLOCATE (eigen_diff_ia(homo, virtual))
335 eigen_diff_ia(i_occ, a_virt) = Eigenval(a_virt + homo) - Eigenval(i_occ)
341 min_loc = MINLOC(eigen_diff_ia)
345 eigen_diff_ia(min_loc(1), min_loc(2)) = 1.0E20_dp
349 DEALLOCATE (eigen_diff_ia)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | bse.F | 327 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: eigen_diff_ia local
331 ALLOCATE (eigen_diff_ia(homo, virtual))
335 eigen_diff_ia(i_occ, a_virt) = Eigenval(a_virt + homo) - Eigenval(i_occ)
341 min_loc = MINLOC(eigen_diff_ia)
345 eigen_diff_ia(min_loc(1), min_loc(2)) = 1.0E20_dp
349 DEALLOCATE (eigen_diff_ia)
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