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add missing test case in IcohplistTest.test_values() (thanks @JaGeo)
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fixes flake8 F841 unused variable
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janosh committed Apr 16, 2022
1 parent 74f7eee commit 576ea88
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion pymatgen/io/lobster/tests/test_lobster.py
Original file line number Diff line number Diff line change
Expand Up @@ -533,7 +533,6 @@ def test_values(self):
"translation": [0, 0, 0],
},
}
# TODO: why is this unused?
icooplist_bise = {
"1": {
"length": 2.88231,
Expand Down Expand Up @@ -619,6 +618,7 @@ def test_values(self):

self.assertEqual(icohplist_bise, self.icohp_bise.icohplist)
self.assertEqual(icooplist_fe, self.icoop_fe.icohplist)
self.assertEqual(icooplist_bise, self.icoop_bise.icohplist)
self.assertAlmostEqual(self.icobi.icohplist["1"]["icohp"][Spin.up], 0.58649)
self.assertAlmostEqual(self.icobi_orbitalwise.icohplist["2"]["icohp"][Spin.up], 0.58649)
self.assertAlmostEqual(self.icobi_orbitalwise.icohplist["1"]["icohp"][Spin.up], 0.58649)
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