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clean eigenvectors in CI lapack diag
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@ -110,6 +110,7 @@ END_PROVIDER
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H_prime(j,j) = H_prime(j,j) - alpha*expected_s2
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H_prime(j,j) = H_prime(j,j) - alpha*expected_s2
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enddo
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enddo
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call lapack_diag(eigenvalues,eigenvectors,H_prime,size(H_prime,1),N_det)
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call lapack_diag(eigenvalues,eigenvectors,H_prime,size(H_prime,1),N_det)
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call nullify_small_elements(N_det,N_det,eigenvectors,size(eigenvectors,1),1.d-12)
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CI_electronic_energy(:) = 0.d0
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CI_electronic_energy(:) = 0.d0
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i_state = 0
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i_state = 0
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allocate (s2_eigvalues(N_det))
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allocate (s2_eigvalues(N_det))
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