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fix lobster_workflow_test
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atomate/vasp/workflows/tests/test_lobster_workflow.py

Lines changed: 8 additions & 8 deletions
Original file line numberDiff line numberDiff line change
@@ -101,13 +101,13 @@ def _check_run(self, d, mode, database=True):
101101
self.assertEqual(d["state"], "successful")
102102

103103
if mode in ["lobsternormal", "lobsternormal_delete_wavecars"]:
104-
self.assertListEqual(d["output"]["chargespilling"], [0.0147, 0.0147])
104+
self.assertListEqual(d["output"]["charge_spilling"], [0.0147, 0.0147])
105105
self.assertListEqual(d["output"]["elements"], ["Si"])
106-
self.assertListEqual(d["output"]["basistype"], ["pbeVaspFit2015"])
106+
self.assertListEqual(d["output"]["basis_type"], ["pbeVaspFit2015"])
107107
self.assertListEqual(
108-
d["output"]["basisfunctions"], [["3s", "3p_y", "3p_z", "3p_x"]]
108+
d["output"]["basis_functions"], [["3s", "3p_y", "3p_z", "3p_x"]]
109109
)
110-
self.assertTrue(d["output"]["hasDOSCAR"])
110+
self.assertTrue(d["output"]["has_doscar"])
111111
if database:
112112
self.assertNotIn("cohpcar_id", d)
113113
self.assertIn("icooplist_id", d)
@@ -252,13 +252,13 @@ def _check_run(self, d, mode):
252252
self.assertEqual(d["state"], "successful")
253253

254254
if mode in ["lobsternormal"]:
255-
self.assertListEqual(d["output"]["chargespilling"], [0.0027, 0.0027])
255+
self.assertListEqual(d["output"]["charge_spilling"], [0.0027, 0.0027])
256256
self.assertListEqual(d["output"]["elements"], ["F", "Cd"])
257257
self.assertListEqual(
258-
d["output"]["basistype"], ["pbeVaspFit2015", "pbeVaspFit2015"]
258+
d["output"]["basis_type"], ["pbeVaspFit2015", "pbeVaspFit2015"]
259259
)
260260
self.assertListEqual(
261-
d["output"]["basisfunctions"],
261+
d["output"]["basis_functions"],
262262
[
263263
["2s", "2p_y", "2p_z", "2p_x"],
264264
[
@@ -274,7 +274,7 @@ def _check_run(self, d, mode):
274274
],
275275
],
276276
)
277-
self.assertTrue(d["output"]["hasDOSCAR"])
277+
self.assertTrue(d["output"]["has_doscar"])
278278

279279
def _single_vasp_lobster(self, fake=True):
280280
# add the workflow

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