writeVampireFiles

writeVampireFiles(heisenberg_exchange, configuration_parameters, simulation_parameters, magnetic_anisotropy_energy=None, gilbert_damping=None, stt_parameters=None, path=None, materials_filename=None, unit_cell_filename=None, include_dmi=None, unique_magnetic_moment_decimals=2, unique_anisotropy_energy_decimals=2, non_magnetic_tolerance=None, exchange_coupling_tolerance=None, dipole_parameters=None)

Function to write Vampire input files. The function will create three files: The input file named ‘input’ file, a materials file (default name ‘input.mat’), and a unit cell file (default name ‘input.ucf’).

Parameters:

• heisenberg_exchange (HeisenbergExchange) – The HeisenbergExchange object containing information about Jij, magnetic moments and possible DMI.

• configuration_parameters (VampireConfigurationParameters) – Parameter class describing the configuration to be simulated in Vampire.

• simulation_parameters (VampireCurieTemperatureSimulation | VampireCurieTemperatureSimulation | …) – Parameter class describing the simulation to be done in Vampire.

• magnetic_anisotropy_energy (MagneticAnisotropyEnergy) – The MagneticAnisotropyEnergy object containing information about anisotropy constants.
  Default: None, i.e. zero anisotropy.

• gilbert_damping (GilbertDamping) – The GilbertDamping object containing information about damping constant.
  Default: None, i.e. default damping.

• stt_parameters (Not implemented yet.) – Data in some format describing spin-transfer-torque. Not implemented yet.
  Default: None, i.e. zero stt..

• path (str) – Directory in which to write the files. If the directory does not exist, it will be created.

• materials_filename (str) – Filename for materials file.
  Default: input.mat

• unit_cell_filename (str) – Filename for unit cell file.
  Default: input.mat

• include_dmi (bool) – Boolean controling if DMI should be included, if present in the heisenberg_exchange input.
  Default: True

• unique_magnetic_moment_decimals (int | None) – The number of decimals to round the magnetic moment to in order to group almost identical atoms.

• unique_anisotropy_energy_decimals (int | None) – The number of decimals to round the anisotropy energy to in order to group almost identical atoms.

• non_magnetic_tolerance (float) – Tolerance for when atoms are considered non-magnetic. The value corresponds to the magnetic moment in units of Bohr magneton.
  Default: 0.1

• exchange_coupling_tolerance (PhysicalQuantity of type energy.) – Only exchange interactions larger than this tolerance will be included.
  Default: 0.0 * meV