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Tests now pass
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atomate/qchem/fireworks/tests/test_core.py

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@@ -956,7 +956,6 @@ def test_WfnAndQTAIMFW_defaults(self):
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molecule=self.act_mol,
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multiwfn_command=">>multiwfn_command<<",
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wfn_file="WAVEFUNCTION.wfn",
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output_file="qtaim.out"
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).as_dict(),
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)
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self.assertEqual(
@@ -1009,7 +1008,6 @@ def test_WfnAndQTAIMFW_not_defaults(self):
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molecule=self.act_mol,
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multiwfn_command=">>multiwfn_command<<",
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wfn_file="WAVEFUNCTION.wfn",
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output_file="qtaim.out"
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).as_dict(),
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)
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self.assertEqual(

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