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Error in unit test

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Anthony Scemama 2015-06-09 12:39:18 +02:00
parent 543315c165
commit 158170a1df
1 changed files with 2 additions and 1 deletions
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testing_no_regression/unit_test.py
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@ -163,7 +163,8 @@ def run_hf(geo, basis, mult=1, pseudo=False, remove_after_sucess=True):
ref_energy["sto-3g"]["methane"] = Energy(-39.7267433402, None)
ref_energy["vdz"]["SO2"] = Energy(None, -41.48912297776174)
ref_energy["vdz"]["HBO"] = Energy(None, -19.1198231418)
# ref_energy["vdz"]["HBO"] = Energy(None, -19.1198231418)
ref_energy["vdz"]["HBO"] = Energy(None, -19.1198254041)
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~ #
# G l o b a l _ v a r i a b l e #