From 46fcc0116f9b52485230539b9d3cfdd447849010 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Fri, 10 Jul 2020 14:07:30 -0500 Subject: [PATCH] complex diagonalize_h --- src/tools/diagonalize_h.irp.f | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/src/tools/diagonalize_h.irp.f b/src/tools/diagonalize_h.irp.f index c9ae2033..ee9531e9 100644 --- a/src/tools/diagonalize_h.irp.f +++ b/src/tools/diagonalize_h.irp.f @@ -17,7 +17,11 @@ end subroutine routine implicit none - call diagonalize_CI + call diagonalize_ci print*,'N_det = ',N_det - call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted) + if (is_complex) then + call save_wavefunction_general_complex(N_det,N_states,psi_det_sorted,size(psi_coef_sorted_complex,1),psi_coef_sorted_complex) + else + call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted) + endif end