Python GrapheneGenerator.from_conventional_cell Beispiele

Beispiel #1

 def test8(self):
     generator = \
         GrapheneGenerator.from_conventional_cell(armchair_edge_length=2,
                                                  zigzag_edge_length=2,
                                                  nlayers=3)
     generator.save(fname='2nmx2nm_3layer_conventional_cell_graphene.data')
     self.tmpdata.append(generator.fname)

Beispiel #2

Datei: test_graphene_generator.py Projekt: chr7stos/scikit-nano

 def test8(self):
     generator = \
         GrapheneGenerator.from_conventional_cell(armchair_edge_length=2,
                                                  zigzag_edge_length=2,
                                                  nlayers=3)
     generator.save(fname='2nmx2nm_3layer_conventional_cell_graphene.data')
     self.tmpdata.append(generator.fname)

Beispiel #3

 def test3(self):
     generator = \
         GrapheneGenerator.from_conventional_cell(armchair_edge_length=2,
                                                  zigzag_edge_length=2)
     generator.atoms.update_attrs()
     # generator.save(deepcopy=False)
     generator.save(fname='2nmx2nm_1layer_conventional_cell_graphene-2.xyz',
                    deepcopy=False)
     self.tmpdata.append(generator.fname)

Beispiel #4

Datei: test_graphene_generator.py Projekt: chr7stos/scikit-nano

 def test3(self):
     generator = \
         GrapheneGenerator.from_conventional_cell(armchair_edge_length=2,
                                                  zigzag_edge_length=2)
     generator.atoms.update_attrs()
     # generator.save(deepcopy=False)
     generator.save(fname='2nmx2nm_1layer_conventional_cell_graphene-2.xyz',
                    deepcopy=False)
     self.tmpdata.append(generator.fname)