Fixing tests

README.md

@@ -35,6 +35,12 @@ https://arxiv.org/abs/1902.08154
 * [Download the latest release](http://github.com/QuantumPackage/qp2/releases)
 * [Read the documentation](https://quantum-package.readthedocs.io) 
 
+# Discussion list
+
+For any questions or announcements regarding QuantumPackage, you can join our discussion list by registering [here](https://groupes.renater.fr/sympa/subscribe/quantum_package) or by sending an email to `quantum_package-request@groupes.renater.fr` .
+You can also look over its [archives](https://groupes.renater.fr/sympa/arc/quantum_package).
+
+
 # Build status
 
 * Master [![master build status](https://travis-ci.com/QuantumPackage/qp2.svg?branch=master)](https://travis-ci.org/QuantumPackage/qp2)

src/cisd/30.cisd.bats

@@ -4,7 +4,7 @@ source $QP_ROOT/tests/bats/common.bats.sh
 source $QP_ROOT/quantum_package.rc
 
 function run() {
-  thresh=1.e-5
+  thresh=2.e-5
   test_exe cisd || skip
   qp edit --check
   qp set determinants n_states  2

src/fci/40.fci.bats

@@ -40,7 +40,14 @@ function run_stoch() {
   run_stoch -49.14097596  0.0001  10000
 }
 
-@test "NH3" { # 0:00:11
+@test "F2" { # 4.07m
+  [[ -n $TRAVIS ]] && skip
+  qp set_file f2.ezfio
+  qp set_frozen_core
+  run_stoch -199.307512211742 0.002  100000
+}
+
+@test "NH3" { # 10.6657s
   qp set_file nh3.ezfio
   qp set_mo_class --core="[1-4]" --act="[5-72]"
   run -56.24474908 1.e-5  10000
@@ -179,10 +186,3 @@ function run_stoch() {
   run_stoch -93.0980746734051 5.e-4  50000
 }
 
-@test "F2" { # 0:03:34
-  [[ -n $TRAVIS ]] && skip
-  qp set_file f2.ezfio
-  qp set_frozen_core
-  run_stoch -199.307512211742 0.002  100000
-}
-