From ff9760b1367225d6a5d6bc14a00e2b20b20ca609 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Wed, 29 Jul 2020 14:12:38 -0500 Subject: [PATCH] fixed wrong type --- src/davidson/diagonalize_ci.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/davidson/diagonalize_ci.irp.f b/src/davidson/diagonalize_ci.irp.f index d49b0690..dcca2cf2 100644 --- a/src/davidson/diagonalize_ci.irp.f +++ b/src/davidson/diagonalize_ci.irp.f @@ -313,7 +313,7 @@ END_PROVIDER H_prime(j,j) = H_prime(j,j) + alpha*(s_z2_sz - expected_s2) enddo call lapack_diag_complex(eigenvalues,eigenvectors,H_prime,size(H_prime,1),N_det) - ci_electronic_energy_complex(:) = (0.d0,0.d0) + ci_electronic_energy_complex(:) = 0.d0 i_state = 0 allocate (s2_eigvalues(N_det)) allocate(index_good_state_array(N_det),good_state_array(N_det))