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37a401dc65
new file: d/DFTB+/DFTB+-17.1_test_dptools.patch new file: d/DFTB+/DFTB+-19.1-intel-2020a-Py-3.7.eb new file: p/Py/Py-3.6.old.eb
15 lines
660 B
Diff
15 lines
660 B
Diff
* relax test for exact match, compare difference with predefined tolerance instead
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author: Miguel Dias Costa (National University of Singapore)
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--- test/tools/dptools/test_grids.py.orig 2017-10-27 14:16:30.679276000 +0800
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+++ test/tools/dptools/test_grids.py 2017-10-27 14:17:28.896727649 +0800
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@@ -39,7 +39,8 @@
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)
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gridcoords = grid.cartesian_to_gridcoord([1.9, -0.5, 1.5])
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true_gridcoords = np.array([-1, 2, 9])
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- self.assertTrue(np.all(gridcoords == true_gridcoords))
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+ diff = np.max(np.abs(gridcoords - true_gridcoords))
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+ self.assertLess(diff, FLOAT_TOLERANCE)
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def test_get_corners_gridcoord(self):
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