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Skipping test for Mac
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ifilot committed Dec 7, 2023
1 parent 08540a8 commit 874cf07
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3 changes: 3 additions & 0 deletions tests/test_geometry_optimization.py
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import unittest
from pyqint import Molecule,GeometryOptimization
import numpy as np
import sys

class TestGeometryOptimization(unittest.TestCase):
"""
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self.assertEqual(res['data']['nuclear'].shape, (N, N))
self.assertEqual(res['data']['tetensor'].shape, (N, N, N, N))

@unittest.skipIf(sys.platform == "Darwin",
"skipping test for MacOS")
def test_optimization_c2h4(self):
"""
Optimize ethylene molecule and assess that the energy corresponds to
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