Ejemplo n.º 1
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 def test_atoms_distance_pbc(self):
     dist = s.atoms_distance(self.cell, 2, 18)
     self.assertAlmostEqual(dist, 1.867066, 5)
Ejemplo n.º 2
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 def test_atoms_distance_proj(self):
     """Test the atoms_distance method with a projection."""
     dist = s.atoms_distance(self.cell, 24, 9, "xy")
     self.assertAlmostEqual(dist, 1.51230705052) 
Ejemplo n.º 3
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 def test_atoms_distance_proj2(self):
     """Test the atoms_distance method with a projection defined by vector."""
     dist = s.atoms_distance(self.cell, 9, 24, (0,0,10))
     self.assertAlmostEqual(dist, 1.16373136) 
Ejemplo n.º 4
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 def test_atoms_distance(self):
     """Test the atoms_distance method."""
     dist = s.atoms_distance(self.cell, 9, 24)
     self.assertAlmostEqual(dist, 1.90823040889809)
Ejemplo n.º 5
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 def test_atoms_distance_pbc(self):
     dist = s.atoms_distance(self.cell, 2, 18)
     self.assertAlmostEqual(dist, 1.867066, 5)
Ejemplo n.º 6
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 def test_atoms_distance_proj2(self):
     """Test the atoms_distance method with a projection defined by vector."""
     dist = s.atoms_distance(self.cell, 9, 24, (0, 0, 10))
     self.assertAlmostEqual(dist, 1.16373136)
Ejemplo n.º 7
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 def test_atoms_distance_proj(self):
     """Test the atoms_distance method with a projection."""
     dist = s.atoms_distance(self.cell, 24, 9, "xy")
     self.assertAlmostEqual(dist, 1.51230705052)
Ejemplo n.º 8
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 def test_atoms_distance(self):
     """Test the atoms_distance method."""
     dist = s.atoms_distance(self.cell, 9, 24)
     self.assertAlmostEqual(dist, 1.90823040889809)