From fae3e5a0eeb4d2c1f0a88b0e6a564dd1a4ef8a78 Mon Sep 17 00:00:00 2001
From: "Adam J. Jackson" <a.j.jackson@physics.org>
Date: Fri, 17 Jan 2020 15:50:46 +0000
Subject: [PATCH] Update Abins CRYSTAL test data
Reference files for data import need updating for new advanced params
---
Testing/Data/UnitTest/MgO-222-DISP_LoadCRYSTAL_data.txt.md5 | 2 +-
Testing/Data/UnitTest/crystalB3LYP_LoadCRYSTAL_data.txt.md5 | 2 +-
Testing/Data/UnitTest/crystal_set_key_LoadCRYSTAL_data.txt.md5 | 2 +-
Testing/Data/UnitTest/mgo-GX_LoadCRYSTAL_data.txt.md5 | 2 +-
.../Data/UnitTest/toluene_molecule_LoadCRYSTAL17_data.txt.md5 | 2 +-
.../Data/UnitTest/toluene_molecule_LoadCRYSTAL_data.txt.md5 | 2 +-
scripts/test/Abins/AbinsLoadCRYSTALTest.py | 3 +--
7 files changed, 7 insertions(+), 8 deletions(-)
diff --git a/Testing/Data/UnitTest/MgO-222-DISP_LoadCRYSTAL_data.txt.md5 b/Testing/Data/UnitTest/MgO-222-DISP_LoadCRYSTAL_data.txt.md5
index f1382112bd7..54990f1d710 100644
--- a/Testing/Data/UnitTest/MgO-222-DISP_LoadCRYSTAL_data.txt.md5
+++ b/Testing/Data/UnitTest/MgO-222-DISP_LoadCRYSTAL_data.txt.md5
@@ -1 +1 @@
-9220a905185fcc7ac537decb674a7673
+dead2ba96ea33e418435aa03adbbbad3
diff --git a/Testing/Data/UnitTest/crystalB3LYP_LoadCRYSTAL_data.txt.md5 b/Testing/Data/UnitTest/crystalB3LYP_LoadCRYSTAL_data.txt.md5
index 1b92744717b..dbc1fe214ac 100644
--- a/Testing/Data/UnitTest/crystalB3LYP_LoadCRYSTAL_data.txt.md5
+++ b/Testing/Data/UnitTest/crystalB3LYP_LoadCRYSTAL_data.txt.md5
@@ -1 +1 @@
-1a3f3375ab6bc11d5c76d7e4441aabc7
+c5bd42405043b4e856a674f4a09fdfd1
diff --git a/Testing/Data/UnitTest/crystal_set_key_LoadCRYSTAL_data.txt.md5 b/Testing/Data/UnitTest/crystal_set_key_LoadCRYSTAL_data.txt.md5
index 6967e7b0e97..83926d55313 100644
--- a/Testing/Data/UnitTest/crystal_set_key_LoadCRYSTAL_data.txt.md5
+++ b/Testing/Data/UnitTest/crystal_set_key_LoadCRYSTAL_data.txt.md5
@@ -1 +1 @@
-21038d504c2265f7c7046c68a6fd2ac8
+a450d26388737291ad786f99e254b4a3
diff --git a/Testing/Data/UnitTest/mgo-GX_LoadCRYSTAL_data.txt.md5 b/Testing/Data/UnitTest/mgo-GX_LoadCRYSTAL_data.txt.md5
index 738678029e7..3dfc3fefe5b 100644
--- a/Testing/Data/UnitTest/mgo-GX_LoadCRYSTAL_data.txt.md5
+++ b/Testing/Data/UnitTest/mgo-GX_LoadCRYSTAL_data.txt.md5
@@ -1 +1 @@
-65d8d0a26ab8a2ae2fe50e6d7b392fac
+912c101df8f4aa2ebafadac75415040e
diff --git a/Testing/Data/UnitTest/toluene_molecule_LoadCRYSTAL17_data.txt.md5 b/Testing/Data/UnitTest/toluene_molecule_LoadCRYSTAL17_data.txt.md5
index 9c0d4e946b8..d8c6577d43d 100644
--- a/Testing/Data/UnitTest/toluene_molecule_LoadCRYSTAL17_data.txt.md5
+++ b/Testing/Data/UnitTest/toluene_molecule_LoadCRYSTAL17_data.txt.md5
@@ -1 +1 @@
-dcedfbda8976f92bc8775e1e1aa15362
+4e70ecd1aed776b8e83d78b150898cf3
diff --git a/Testing/Data/UnitTest/toluene_molecule_LoadCRYSTAL_data.txt.md5 b/Testing/Data/UnitTest/toluene_molecule_LoadCRYSTAL_data.txt.md5
index 9d1e360365c..401dd474c0e 100644
--- a/Testing/Data/UnitTest/toluene_molecule_LoadCRYSTAL_data.txt.md5
+++ b/Testing/Data/UnitTest/toluene_molecule_LoadCRYSTAL_data.txt.md5
@@ -1 +1 @@
-28b3a9ef50cf1b018aa93527b921bf24
+6ab7231dfe3e856749070a5d0119ebd5
diff --git a/scripts/test/Abins/AbinsLoadCRYSTALTest.py b/scripts/test/Abins/AbinsLoadCRYSTALTest.py
index 4a4968e658a..14256b6b27c 100644
--- a/scripts/test/Abins/AbinsLoadCRYSTALTest.py
+++ b/scripts/test/Abins/AbinsLoadCRYSTALTest.py
@@ -6,7 +6,6 @@
# SPDX - License - Identifier: GPL - 3.0 +
from __future__ import (absolute_import, division, print_function)
import unittest
-from mantid.simpleapi import logger
import AbinsModules
@@ -15,7 +14,7 @@ class AbinsLoadCRYSTALTest(unittest.TestCase, AbinsModules.GeneralLoadAbInitioTe
def tearDown(self):
AbinsModules.AbinsTestHelpers.remove_output_files(list_of_names=["LoadCRYSTAL"])
- # *************************** USE CASES ********************************************
+ # *************************** USE CASES *********************************************
# ===================================================================================
# | Use cases: Gamma point calculation for CRYSTAL |
# ===================================================================================
--
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