Python MeshSymmetryErrorHandler.check Exemples

Exemple #1

 def test_mesh_symmetry(self):
     h = MeshSymmetryErrorHandler("vasp.ibzkpt")
     h.check()
     d = h.correct()
     self.assertEqual(d["errors"], ['mesh_symmetry'])
     self.assertEqual(d["actions"],
                      [{'action': {'_set': {'kpoints': [[4, 4, 4]]}},
                        'dict': 'KPOINTS'}])

Exemple #2

Fichier : test_handlers.py Projet : shyamd/custodian

 def test_mesh_symmetry(self):
     h = MeshSymmetryErrorHandler("vasp.ibzkpt")
     h.check()
     d = h.correct()
     self.assertEqual(d["errors"], ['mesh_symmetry'])
     self.assertEqual(d["actions"],
                      [{'action': {'_set': {'kpoints': [[4, 4, 4]]}},
                        'dict': 'KPOINTS'}])

Exemple #3

 def test_mesh_symmetry(self):
     h = MeshSymmetryErrorHandler("vasp.ibzkpt")
     h.check()
     d = h.correct()
     self.assertEqual(d["errors"], ["mesh_symmetry"])
     self.assertEqual(
         d["actions"],
         [{
             "action": {
                 "_set": {
                     "kpoints": [[4, 4, 4]]
                 }
             },
             "dict": "KPOINTS"
         }],
     )