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Fixed tests that because of the new default NORMION value

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This commit is contained in:
Oleg E. Peil 2015-11-20 18:59:46 +01:00
parent 183c115870
commit b2b25a9fd0
3 changed files with 5 additions and 4 deletions
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4
python/vasp/test/_inpconf/test_groups.py
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@ -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)

4
python/vasp/test/_inpconf/test_input.py
View File

@ -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)

1
python/vasp/test/_proj_group/test_two_site.py
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@ -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)