From 1bbb2d3e3d3122355cdb579e4d8b09d4fe3b48e4 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Tue, 26 Jan 2016 00:26:27 +0100
Subject: [PATCH] Repaired tests

---
 plugins/Hartree_Fock/EZFIO.cfg |  2 +-
 tests/bats/qp.bats             | 13 ++++---------
 2 files changed, 5 insertions(+), 10 deletions(-)

diff --git a/plugins/Hartree_Fock/EZFIO.cfg b/plugins/Hartree_Fock/EZFIO.cfg
index 8ed60e27..d8207cc4 100644
--- a/plugins/Hartree_Fock/EZFIO.cfg
+++ b/plugins/Hartree_Fock/EZFIO.cfg
@@ -2,7 +2,7 @@
 type: Threshold
 doc: Threshold on the convergence of the Hartree Fock energy
 interface: ezfio,provider,ocaml
-default: 1.e-12
+default: 1.e-10
 
 [n_it_scf_max]
 type: Strictly_positive_int
diff --git a/tests/bats/qp.bats b/tests/bats/qp.bats
index 2dfc8586..375dd663 100644
--- a/tests/bats/qp.bats
+++ b/tests/bats/qp.bats
@@ -15,7 +15,7 @@ function eq() {
        echo "Error     : " ${diff[1]}
        echo "Reference : " ${diff[3]}
        echo "Computed  : " ${diff[2]}
-       exit 127
+       exit 1
     fi
 }
 
@@ -28,11 +28,6 @@ mkdir -p "${TEST_DIR}"
 
 cd "${TEST_DIR}" || exit 1
 
-function debug() {
-  echo $@
-  $@
-}
-
 function run_init() {
   cp "${QP_ROOT}/tests/input/$1" .
   qp_create_ezfio_from_xyz $1 -o $3 $2 
@@ -100,7 +95,7 @@ function run_FCI() {
 }
 
 @test "FCI H2O cc-pVDZ" {
-  run_FCI h2o.ezfio 2000  -76.2340571376198  -76.2472677528236
+  run_FCI h2o.ezfio 10000  -76.241461732569   -76.2471202055693
 }
 
 @test "CAS_SD H2O cc-pVDZ" {
@@ -136,11 +131,11 @@ function run_FCI() {
 }
 
 @test "SCF H2O VDZ pseudo" {
-  run_HF  h2o_pseudo.ezfio  -16.9487846289347
+  run_HF  h2o_pseudo.ezfio  -16.9487841972853
 }
 
 @test "FCI H2O VDZ pseudo" {
-  run_FCI h2o_pseudo.ezfio 2000    -17.1593409055786  -17.1699581088593
+  run_FCI h2o_pseudo.ezfio 2000    -17.1593409053142  -17.1699581090466
 }