From b06123173a9550d666eb8afe95eb7eb6e41864aa Mon Sep 17 00:00:00 2001
From: Emiel Slootman <e.slootman@utwente.nl>
Date: Wed, 23 Oct 2024 10:19:32 +0200
Subject: [PATCH] Update CI test QMCkl

---
 .../VMC_TREXIO_QMCKL_C2H6O_ethanol_optimization.sh            | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/CI_test/VMC-TREXIO-QMCKL-C2H6O-optorb/VMC_TREXIO_QMCKL_C2H6O_ethanol_optimization.sh b/tests/CI_test/VMC-TREXIO-QMCKL-C2H6O-optorb/VMC_TREXIO_QMCKL_C2H6O_ethanol_optimization.sh
index ecc16859..15d8d2b1 100755
--- a/tests/CI_test/VMC-TREXIO-QMCKL-C2H6O-optorb/VMC_TREXIO_QMCKL_C2H6O_ethanol_optimization.sh
+++ b/tests/CI_test/VMC-TREXIO-QMCKL-C2H6O-optorb/VMC_TREXIO_QMCKL_C2H6O_ethanol_optimization.sh
@@ -6,7 +6,7 @@ output="vmc_ethanol_opt"
 N=2
 mpirun -np $N ../../../bin/vmc.mov1 -i $input -o ${output}_core_${N}.out -e error
 
-ReferenceEnergy=-30.3734351
-ReferenceError=0.0203963
+ReferenceEnergy=-30.5921225
+ReferenceError=0.0152373
 echo "Comparing energy with reference Core=$N           (total E = $ReferenceEnergy +-  $ReferenceError ) "
 ../../../tools/compare_value.py ${output}_core_${N}.out  "total E" $ReferenceEnergy     $ReferenceError