def test9(self): generator = \ GrapheneGenerator.from_primitive_cell(edge_length=2, nlayers=3) generator.save(fname='2nm_3layer_primitive_cell_graphene.data') self.tmpdata.append(generator.fname)
def test5(self): generator = \ GrapheneGenerator.from_primitive_cell(edge_length=2) generator.save(fname='2nm_1layer_primitive_cell_graphene-2.xyz') self.tmpdata.append(generator.fname)