magnopy.io.dump_vampire_mat#

magnopy.io.dump_vampire_mat(spinham: SpinHamiltonian, filename, materials=None, no_logo=False) → None[source]#

Generates .mat file for Vampire.

Parameters:

spinhamSpinHamiltonian: Spin Hamiltonian object to be saved.
filenamestr: Name for the .mat file. Extension ".mat" is added if not present.
materialslist of int, optional: List of materials for the atoms. Length is the same as the number of magnetic atoms in the spinham (spinham.M). Order is the same as in SpinHamiltonian.magnetic_atoms. If none given, each magnetic atom is considered as a separate material. Material indices start from 0 and should contain all consecutive integers between 0 and number of materials. Number of materials cannot be higher than number of magnetic atoms.
no_logobool, default False: Whether to include the logo in the output files.

Raises:

ValueError: If materials list is given and its length is not equal to the number of magnetic atoms in the spinham.
ValueError: If materials list does not contain all consecutive integers between 0 and the highest material index.

Notes

Examples of the correct materials list for 5 magnetic atoms

[0, 0, 0, 0, 0]
[1, 3, 2, 1, 0]
[0, 1, 2, 3, 4]

Examples of the incorrect materials list for 5 magnetic atoms

[0, 6, 0, 0, 0]
[1, 3, 3, 1, 0]
[1, 2, 3, 4, 5]