Version 0.1#

Warning

We recommend to update from this version of Magnopy.

We do not recommend to use Energy.optimize() or magnopy-optimize-sd of this version of Magnopy.

0.1.9#

Date: 30 June 2025

Bugfix#

0.1.8#

Warning

We recommend not to use energy optimization of this version.

Date: 26 June 2025

New features#

  • Add examples.full_ham() example.

  • Add date and time to the output of CLI scripts.

  • Add primitive plotter for spin directions to both CLI scripts.

  • Add new script with primitive plotter for the spin directions.

Bugfix#

  • Fix bugs

  • Fix a bug of reading spin directions from a file.

  • Fix a bug in Energy with 43 parameters.

0.1.7#

Warning

We recommend not to use energy optimization of this version.

Date: 12 June 2025

New features#

  • Add parameter converters for 22 (converter22) and 422 (converter422) terms.

  • Add alphas parameter to the SpinHamiltonian.add_magnetic_field().

  • Implement multiplication of the Hamiltonian by a number.

  • Implement reading of the new public file format of GROGU.

  • Implement summation (and subtraction) of spin Hamiltonians.

  • Implement submodule with examples.

  • Implement energy minimization algorithm.

  • Implement creation of the supercell (warning: not tested)

  • Implement __call__ (equivalent to Energy.E_0) for Energy class.

Bugfix#

  • Fix bugs.

Improvements#

  • Make use of LSWT scenario within Python more convenient.

  • Add spin direction's optimization step to the LSWT scenario.

  • Implement new scenario and command line interface for energy optimization.

0.1.6#

Warning

We recommend not to use this version with GROGU files.

Date: 16 May 2025

New features#

  • Add reading of magnetic moment from TB2J when no-SOC case is used.

Bugfix#

  • Fix a typo in io.load_tb2j().

  • Fix a bug with reading of TB2J (when no anisotropy is present).

Improvements#

0.1.5#

Warning

We recommend not to use this version.

Date: 26 May 2025

Bugfix#

Improvements#

  • Rename output file for vampire from "input" to "input-template" to avoid frustrating overwrites.

0.1.4#

Warning

We recommend not to use this version.

Date: 23 May 2025

Bugfix#

  • Fix a bug in the TB2J reader: atom's positions have been read as absolute instead of relative.

  • Fix various bugs in the vampire output.

0.1.3#

Warning

We recommend not to use this version.

Date: 22 May 2025

Improvements#

  • Add custom xlabels for the plot with the custom list of kpoints.

  • Start to use the term "convention" instead of "notation" both in documentation and in the code.

  • Change development status from "planning" to "beta" in pyproject.toml

  • Remove total energy from the output. It was not meaningful, as it was summed along the high symmetry path and not across the Brillouin zone.

0.1.2#

Warning

We recommend not to use this version.

Date: 20 May 2025

Improvements#

Change colors in the plots.

0.1.1#

Warning

We recommend not to use this version.

Date: 20 May 2025

Bugfix#

  • Fix a bug with the energy units. In the output "eV" was written instead of "meV". Now it is written "meV". The values were always outputted in meV.

  • Replace GROGU interface for the temporary simpler one.

0.1.0#

Date: 19 May 2025

First release of Magnopy.