From b2b25a9fd046b1fec3f67defe0c14436b663aad5 Mon Sep 17 00:00:00 2001 From: "Oleg E. Peil" Date: Fri, 20 Nov 2015 18:59:46 +0100 Subject: [PATCH] Fixed tests that because of the new default NORMION value --- python/vasp/test/_inpconf/test_groups.py | 4 ++-- python/vasp/test/_inpconf/test_input.py | 4 ++-- python/vasp/test/_proj_group/test_two_site.py | 1 + 3 files changed, 5 insertions(+), 4 deletions(-) diff --git a/python/vasp/test/_inpconf/test_groups.py b/python/vasp/test/_inpconf/test_groups.py index 4ffe80a7..3559ae2a 100644 --- a/python/vasp/test/_inpconf/test_groups.py +++ b/python/vasp/test/_inpconf/test_groups.py @@ -39,9 +39,9 @@ class TestParseGroups(arraytest.ArrayTestCase): conf_pars.parse_groups() res = conf_pars.groups expected = [{'index': 1, 'shells': [1, 2], 'ewindow': (-7.6, 3.0), - 'normalize': True, 'normion': False}, + 'normalize': True, 'normion': True}, {'index': 2, 'shells': [3], 'ewindow': (-1.6, 2.0), - 'normalize': True, 'normion': False}] + 'normalize': True, 'normion': True}] self.assertListEqual(res, expected) diff --git a/python/vasp/test/_inpconf/test_input.py b/python/vasp/test/_inpconf/test_input.py index 404ceeb6..a0b91e36 100644 --- a/python/vasp/test/_inpconf/test_input.py +++ b/python/vasp/test/_inpconf/test_input.py @@ -80,7 +80,7 @@ class TestParseInput(arraytest.ArrayTestCase): [{'ion_list': array([4, 5, 6, 7]), 'user_index': 1, 'lshell': 2}, {'ion_list': array([0, 1, 2, 3]), 'user_index': 2, 'lshell': 1}, {'ion_list': array([0, 1, 2, 3]), 'user_index': 3, 'lshell': 3}] Groups: -[{'normalize': True, 'index': 1, 'ewindow': (-7.6, 3.0), 'normion': False, 'shells': [0, 1]}, {'normalize': True, 'index': 2, 'ewindow': (-1.6, 2.0), 'normion': False, 'shells': [2]}]""" +[{'normalize': True, 'index': 1, 'ewindow': (-7.6, 3.0), 'normion': True, 'shells': [0, 1]}, {'normalize': True, 'index': 2, 'ewindow': (-1.6, 2.0), 'normion': True, 'shells': [2]}]""" self.assertEqual(res, expected) @@ -102,7 +102,7 @@ Groups: [{'ion_list': array([4, 5, 6, 7]), 'user_index': 1, 'lshell': 2}] Groups: -[{'normalize': True, 'index': '1', 'ewindow': (-7.6, 3.0), 'shells': [0], 'normion': False}]""" +[{'normalize': True, 'index': '1', 'ewindow': (-7.6, 3.0), 'shells': [0], 'normion': True}]""" self.assertEqual(res, expected) diff --git a/python/vasp/test/_proj_group/test_two_site.py b/python/vasp/test/_proj_group/test_two_site.py index b4c1f025..851b5108 100644 --- a/python/vasp/test/_proj_group/test_two_site.py +++ b/python/vasp/test/_proj_group/test_two_site.py @@ -43,6 +43,7 @@ class TestProjectorGroupTwoSite(mytest.MyTestCase): # Scenario 1 def test_ortho(self): + self.proj_gr.normion = False self.proj_gr.orthogonalize() dens_mat, overl = self.proj_sh.density_matrix(self.el_struct)