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Merge branch 'moments_PR' of github.com:BoothGroup/Vayesta into momen…
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…ts_PR
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basilib committed Jul 10, 2023
2 parents aefe9f3 + f3582ce commit 0921324
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Showing 2 changed files with 2 additions and 9 deletions.
5 changes: 1 addition & 4 deletions .github/workflows/ci.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -34,12 +34,9 @@ jobs:
run: |
python -m pip install wheel --user
python -m pip install setuptools --upgrade --user
<<<<<<< HEAD
python -m pip install https://github.com/BoothGroup/dyson/archive/master.zip
python -m pip install .[dmet] --user
=======
python -m pip install .[dmet,ebcc] --user
>>>>>>> master
- name: Run unit tests
run: |
python -m pip install pytest pytest-cov --user
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6 changes: 1 addition & 5 deletions vayesta/tests/ewf/test_rdm_energy.py
Original file line number Diff line number Diff line change
Expand Up @@ -31,7 +31,6 @@ def test(self):
self.assertAlmostEqual(gl, cc.e_corr)
self.assertAlmostEqual(lg, cc.e_corr)
self.assertAlmostEqual(gg, cc.e_corr)

self.assertAlmostEqual(ewf.get_dm_energy(), cc.e_tot)

class Test_UHF(TestCase):
Expand All @@ -58,8 +57,6 @@ def test(self):
self.assertAlmostEqual(gl, cc.e_corr)
self.assertAlmostEqual(lg, cc.e_corr)
self.assertAlmostEqual(gg, cc.e_corr)

<<<<<<< HEAD
self.assertAlmostEqual(ewf.get_dm_energy(), cc.e_tot)

# def test_h2_solid(self):
Expand All @@ -84,8 +81,7 @@ def test(self):
# self.assertAlmostEqual(gl, cc.e_corr)
# self.assertAlmostEqual(lg, cc.e_corr)
# self.assertAlmostEqual(gg, cc.e_corr)
=======
>>>>>>> master


if __name__ == '__main__':
print("Running %s" % __file__)
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