Python distance_between_atoms Examples

Programming Language: Python

Namespace/Package Name: smu.geometry.utilities

Method/Function: distance_between_atoms

Examples at hotexamples.com: 2

Python distance_between_atoms - 2 examples found. These are the top rated real world Python examples of smu.geometry.utilities.distance_between_atoms extracted from open source projects. You can rate examples to help us improve the quality of examples.

Example #1

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 def test_unit_z(self):
   coords = zero2()
   coords.atom_positions[1].z = 1.0 / smu_utils_lib.BOHR_TO_ANGSTROMS
   self.assertAlmostEqual(utilities.distance_between_atoms(coords, 0, 1), 1.0)

Example #2

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 def test_zero_distance(self):
   coords = zero2()
   self.assertEqual(utilities.distance_between_atoms(coords, 0, 1), 0.0)