Python atoms_distance Examples

Example #1

File: test_supercell.py Project: mstourna/vasputil

 def test_atoms_distance_pbc(self):
     dist = s.atoms_distance(self.cell, 2, 18)
     self.assertAlmostEqual(dist, 1.867066, 5)

Example #2

File: test_supercell.py Project: mstourna/vasputil

 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) 

Example #3

File: test_supercell.py Project: mstourna/vasputil

 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) 

Example #4

File: test_supercell.py Project: mstourna/vasputil

 def test_atoms_distance(self):
     """Test the atoms_distance method."""
     dist = s.atoms_distance(self.cell, 9, 24)
     self.assertAlmostEqual(dist, 1.90823040889809)

Example #5

File: test_supercell.py Project: syedazkarul/vasputil

 def test_atoms_distance_pbc(self):
     dist = s.atoms_distance(self.cell, 2, 18)
     self.assertAlmostEqual(dist, 1.867066, 5)

Example #6

File: test_supercell.py Project: syedazkarul/vasputil

 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)

Example #7

File: test_supercell.py Project: syedazkarul/vasputil

 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)

Example #8

File: test_supercell.py Project: syedazkarul/vasputil

 def test_atoms_distance(self):
     """Test the atoms_distance method."""
     dist = s.atoms_distance(self.cell, 9, 24)
     self.assertAlmostEqual(dist, 1.90823040889809)