From bd719b72af00f249e14bb2718142f4026ae22cc4 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Thu, 16 Jun 2022 17:15:28 +0200
Subject: [PATCH 1/3] Update README.md

New logo and European funding in readme
---
 README.md | 13 ++++++++++++-
 1 file changed, 12 insertions(+), 1 deletion(-)

diff --git a/README.md b/README.md
index b8141b88..24d6277e 100644
--- a/README.md
+++ b/README.md
@@ -1,6 +1,7 @@
 # Quantum Package 2.2
 
-<img src="https://raw.githubusercontent.com/QuantumPackage/qp2/master/data/qp2.png" width="250">
+<!--- img src="https://raw.githubusercontent.com/QuantumPackage/qp2/master/data/qp2.png" width="250" --->
+<img src="https://trex-coe.eu/sites/default/files/styles/responsive_no_crop/public/2021-12/Risorsa%2014_0.png"  width="250">
 
 
 [![DOI](https://zenodo.org/badge/167513335.svg)](https://zenodo.org/badge/latestdoi/167513335)
@@ -44,9 +45,19 @@ https://arxiv.org/abs/1902.08154
 
 # Credits
 
+* [TREX Center of Excellence](https://trex-coe.eu)
+* [ERC PTEROSOR](https://lcpq.github.io/PTEROSOR)
 * [CNRS](http://www.cnrs.fr)
 * [Laboratoire de Chimie et Physique Quantiques](http://lcpq.ups-tlse.fr)
 * [Laboratoire de Chimie Théorique](http://www.lct.jussieu.fr)
 * [Argonne  Leadership Computing  Facility](http://alcf.anl.gov)
 * [CALMIP](https://www.calmip.univ-toulouse.fr)
 
+
+------------------------------
+
+<img src="https://lcpq.github.io/PTEROSOR/img/ERC.png" width="200" />
+
+[TREX: Targeting Real Chemical Accuracy at the Exascale](https://trex-coe.eu) project has received funding from the European Union’s Horizon 2020 - Research and Innovation program - under grant agreement no. 952165. The content of this document does not represent the opinion of the European Union, and the European Union is not responsible for any use that might be made of such content.
+
+[PTEROSOR](https://lcpq.github.io/PTEROSOR) project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant agreement No. 863481).

From a6ffaa7da148bd24313112425507fe68bc4d0a6a Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Thu, 21 Apr 2022 13:39:01 +0200
Subject: [PATCH 2/3] Update test values

---
 src/fci/40.fci.bats | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/fci/40.fci.bats b/src/fci/40.fci.bats
index 1a0c5507..b8528e97 100644
--- a/src/fci/40.fci.bats
+++ b/src/fci/40.fci.bats
@@ -71,7 +71,7 @@ function run_stoch() {
 @test "HBO" { # 13.3144s
   [[ -n $TRAVIS ]] && skip
   qp set_file hbo.ezfio
-  run -100.214099486337 1.e-3  100000
+  run -100.213 1.e-3  100000
 }
 
 @test "H2O" { # 11.3727s
@@ -89,7 +89,7 @@ function run_stoch() {
 @test "SO" { # 13.4952s
   [[ -n $TRAVIS ]] && skip
   qp set_file so.ezfio
-  run -26.0176563764039 1.e-3  100000
+  run -26.014 5.e-3  100000
 }
 
 @test "H2S" { # 13.6745s
@@ -119,7 +119,7 @@ function run_stoch() {
 @test "SiH3" { # 15.99s
   [[ -n $TRAVIS ]] && skip
   qp set_file sih3.ezfio
-  run -5.57241217753818 5.e-4   100000
+  run -5.572 1.e-3   100000
 }
 
 @test "CH4" { # 16.1612s
@@ -153,7 +153,7 @@ function run_stoch() {
   [[ -n $TRAVIS ]] && skip
   qp set_file n2.ezfio
   qp set_mo_class --core="[1,2]" --act="[3-40]" --del="[41-60]"
-  run -109.287917088107   1.5e-3  100000
+  run -109.288   2.e-3  100000
 }
 
 @test "N2H4" { # 18.5006s

From d2c40fc1cb3afa6c22a0ef05eb16f25abf8b631f Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Thu, 21 Apr 2022 13:42:10 +0200
Subject: [PATCH 3/3] Update test values

---
 src/fci/40.fci.bats | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/fci/40.fci.bats b/src/fci/40.fci.bats
index b8528e97..d890d586 100644
--- a/src/fci/40.fci.bats
+++ b/src/fci/40.fci.bats
@@ -42,7 +42,7 @@ function run_stoch() {
   [[ -n $TRAVIS ]] && skip
   qp set_file f2.ezfio
   qp set_frozen_core
-  run_stoch -199.304922384814 3.e-4  100000
+  run_stoch -199.304922384814 3.e-3  100000
 }
 
 @test "NH3" { # 10.6657s
@@ -89,7 +89,7 @@ function run_stoch() {
 @test "SO" { # 13.4952s
   [[ -n $TRAVIS ]] && skip
   qp set_file so.ezfio
-  run -26.014 5.e-3  100000
+  run -26.015 3.e-3  100000
 }
 
 @test "H2S" { # 13.6745s
@@ -146,7 +146,7 @@ function run_stoch() {
   [[ -n $TRAVIS ]] && skip
   qp set_file c2h2.ezfio
   qp set_mo_class --act="[1-30]" --del="[31-36]"
-  run -12.3685464085969 2.e-3  100000
+  run -12.367 3.e-3  100000
 }
 
 @test "N2" { # 18.0198s
@@ -182,6 +182,6 @@ function run_stoch() {
   [[ -n $TRAVIS ]] && skip
   qp set_file hcn.ezfio
   qp set_mo_class --core="[1,2]" --act="[3-40]" --del="[41-55]"
-  run -93.0777619629755 1.e-3  100000
+  run -93.078 2.e-3  100000
 }