From 002371f29c0040a740325829984915c755b34cf1 Mon Sep 17 00:00:00 2001 From: AbdAmmar Date: Thu, 16 Mar 2023 09:01:34 +0100 Subject: [PATCH] save left_part for qmcchem correctly --- src/tc_bi_ortho/psi_left_qmc.irp.f | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/src/tc_bi_ortho/psi_left_qmc.irp.f b/src/tc_bi_ortho/psi_left_qmc.irp.f index 25048f82..4e3b8e86 100644 --- a/src/tc_bi_ortho/psi_left_qmc.irp.f +++ b/src/tc_bi_ortho/psi_left_qmc.irp.f @@ -17,6 +17,8 @@ BEGIN_PROVIDER [ double precision, psi_bitcleft_bilinear_matrix_values, (N_det, implicit none integer :: k, l + !print *, ' providing psi_bitcleft_bilinear_matrix_values' + if(N_det .eq. 1) then do l = 1, N_states @@ -38,6 +40,8 @@ BEGIN_PROVIDER [ double precision, psi_bitcleft_bilinear_matrix_values, (N_det, endif + !print *, ' psi_bitcleft_bilinear_matrix_values OK' + END_PROVIDER ! ---