From f5dc20a29ffe1e1d79971ba47c279ca12190aa84 Mon Sep 17 00:00:00 2001
From: ydamour <yann.damour@hotmail.fr>
Date: Fri, 10 Mar 2023 17:46:30 +0100
Subject: [PATCH] tests cisd w frozen core

---
 src/cisd/30.cisd.bats | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/src/cisd/30.cisd.bats b/src/cisd/30.cisd.bats
index 69b862b0..42d0dc5e 100644
--- a/src/cisd/30.cisd.bats
+++ b/src/cisd/30.cisd.bats
@@ -10,6 +10,8 @@ function run() {
   qp set determinants n_states  2
   qp set davidson threshold_davidson 1.e-12
   qp set davidson n_states_diag 24
+  qp run cis
+  qp set_frozen_core
   qp run cisd 
   energy1="$(qp get cisd energy | tr '[]' ' ' | cut -d ',' -f 1)"
   energy2="$(qp get cisd energy | tr '[]' ' ' | cut -d ',' -f 2)"