From 3298edad85bd73419cf801a8af8e17f9aa32341c Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 7 Apr 2016 10:55:21 +0200 Subject: [PATCH] Removed normalization of psi_ref in lambda_MRCC --- plugins/MRCC_Utils/mrcc_utils.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/plugins/MRCC_Utils/mrcc_utils.irp.f b/plugins/MRCC_Utils/mrcc_utils.irp.f index e6c84a06..4ac48602 100644 --- a/plugins/MRCC_Utils/mrcc_utils.irp.f +++ b/plugins/MRCC_Utils/mrcc_utils.irp.f @@ -16,7 +16,7 @@ lambda_mrcc_pt2(0) = 0 do i=1,N_det_non_ref - call i_h_psi(psi_non_ref(1,1,i), psi_ref, psi_ref_coef_normalized, N_int, N_det_ref,& + call i_h_psi(psi_non_ref(1,1,i), psi_ref, psi_ref_coef, N_int, N_det_ref,& size(psi_ref_coef,1), N_states,ihpsi_current) call i_H_j(psi_non_ref(1,1,i),psi_non_ref(1,1,i),N_int,hii) do k=1,N_states