magnopy.SpinHamiltonian.cell

property

property SpinHamiltonian.cell

Cell of the crystal on which the Hamiltonian is build.

Returns:

cell(3, 3) numpy.ndarray

Matrix of the cell, rows are lattice vectors.

Notes

If is not recommended to change the cell property after the creation of SpinHamiltonian. In fact an attempt to do so will raise an AttributeError:

>>> import numpy as np
>>> import magnopy
>>> convention = magnopy.Convention()
>>> spinham = magnopy.SpinHamiltonian(
...     cell=np.eye(3), atoms={}, convention=convention
... )
>>> spinham.cell = 2 * np.eye(3)
Traceback (most recent call last):
...
AttributeError: Change of the cell attribute is not supported after the creation of SpinHamiltonian instance. If you need to modify cell, then use pre-defined methods of SpinHamiltonian or create a new one.

Use pre-defined methods of the SpinHamiltonian class to safely modify the cell.

If you need to change the cell attribute, then use

>>> import numpy as np
>>> import magnopy
>>> convention = magnopy.Convention()
>>> spinham = magnopy.SpinHamiltonian(
...     cell=np.eye(3), atoms={}, convention=convention
... )
>>> spinham.cell
array([[1., 0., 0.],
       [0., 1., 0.],
       [0., 0., 1.]])
>>> spinham._cell = 2 * np.eye(3)
>>> spinham.cell
array([[2., 0., 0.],
       [0., 2., 0.],
       [0., 0., 2.]])

In the latter case correct behavior of magnopy is not guaranteed. Use only if you have a deep understanding of the magnopy source code.