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Updated unit tests for travis

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This commit is contained in:
Anthony Scemama 2015-05-21 13:22:29 +02:00
parent 54a1487abb
commit 2138113a95
1 changed files with 2 additions and 2 deletions
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tests/unit_test/unit_test.py
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@ -20,7 +20,7 @@ Energy = namedtuple('Energy', ['without_pseudo', 'with_pseudo'])
# O p t # # O p t #
# ~#~#~ # # ~#~#~ #
precision = 1.e-7 precision = 2.e-7
# A test get a geo file and a basis file. # A test get a geo file and a basis file.
# A global dict containt the result for this test # A global dict containt the result for this test
@ -169,7 +169,7 @@ def run_hf(geo, basis, mult=1, pseudo=False, remove_after_sucess=True):
ref_energy["sto-3g"]["methane"] = Energy(-39.7267433402, None) ref_energy["sto-3g"]["methane"] = Energy(-39.7267433402, None)
ref_energy["vdz"]["SO2"] = Energy(None, -41.48912297776174) ref_energy["vdz"]["SO2"] = Energy(None, -41.48912297776174)
ref_energy["vdz"]["HBO"] = Energy(None, -19.11982540413317) ref_energy["vdz"]["HBO"] = Energy(None, -19.11982530413317)
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~ # # ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~ #
# G l o b a l _ v a r i a b l e # # G l o b a l _ v a r i a b l e #