v1.2.0

Updates light_python_wrapper to fix a bug in the Python interface in Matlab R2023a.

v1.1.0

• New Features:

  • You can now perform linear interpolation of phonon frequencies and
    eigenvectors with the Brille <https://brille.github.io/stable/index.html>_
    library using the new euphonic.brille.BrilleInterpolator
    object. This should provide performance improvements for large unit
    cells which require the dipole correction.

• Dependency changes:

  • Euphonic version dependency increased from >=0.6.0 to >=1.2.0

v1.0.0

• Changes:

  • psutil has been added as a Python dependency for automatic chunking

• Improvements:

  • n_threads will now automatically be converted to an integer (using e.g.
    int32(4) is no longer needed)
  • Warn rather than error if the incorrect Python version or Python module
    versions are used
  • If chunk isn't provided to euphonic.CoherentCrystal, a recommended chunk
    size will be set depending on the available memory
  • install_python_modules.m will now install the latest version of dependencies
    instead of the oldest

• Bug fixes:

  • In some distributions of MATLAB the automatic conversion from Numpy ndarray using
    MATLAB's double does not work. If it fails, convert to a regular py.array
    first, this should be more reliable.
  • In some MATLAB versions py.sys.executable actually points to the MATLAB executable
    so the install_python_modules script wouldn't work. This has been fixed.

v0.3.3

• Improvements

  • A CITATION.cff file has been created and is now bundled with the .mltbx distribution
  • The LICENSE file is now bundled with the .mltbx distribution
  • Only warn once about slow Numpy array conversion with old Matlab versions

• Bug fixes:

  • Fix bug which made the required version checks fail with Euphonic 1.0.0
  • Fix bug with Numpy array conversion with Matlab 2018

v0.3.2

• Bug fixes:

  • Use of temperature=0 will now calculate the 0K Debye-Waller and Bose
    population factors - previously these temperature dependent effects
    were not calculated at 0K

• Improvements:

  • There are now help and doc commands which override the built-in
    Matlab commands to display richer help information (from the Python
    on-line documentation) for Euphonic commands.
    To use them, you must first import them with :code:import euphonic.help
    or :code:import euphonic.doc to override the built-in commands.
    Then use it as normal, e.g. :code:help euphonic.ForceConstants.
    If this is used without the import, the original Matlab help is displayed
    which has been modified to suggest that the import is used.

v0.3.1

• Improvements:

  • There is a new frequency_scale argument to horace_disp which
    allows the output frequencies to be scaled

v0.3.0

• Dependency changes:

  • Euphonic version dependency increased from >=0.5.0 to >=0.6.0

• Breaking changes:

  • The default units of StructureFactor.structure_factors in Euphonic have been
    changed from angstrom**2 per unit cell to mbarn per sample atom, and are
    now in absolute units including a previously omitted 1/2 factor. So the structure
    factors produced by CoherentCrystal.horace_disp have increased by a factor of
    1e11/(2*N_atoms)

• Other changes:

  • The eta_scale keyword argument to CoherentCrystal has been deprecated,
    dipole_parameter should be used instead
  • A Python ValueError will now be raised if an unrecognised keyword argument is
    passed to CoherentCrystal

v0.2.2

This release has no code changes, this just updates the IDAaaS installation documentation

v0.2.1

This release has no code changes, this update is only to fix the .mltbx upload to the MATLAB File Exchange

v0.2.0

There has been a major refactor, which means changes to how
Horace-Euphonic-Interface is installed. There are also major changes
to how Euphonic is used, the API has been updated to make it more
object-oriented.

• Dependency changes:

• Euphonic version dependency increased to >=0.5.0

• Installation changes:

• Horace-euphonic-interface is now distributed as a Matlab toolbox (.mltbx)
  which is available in the Matlab File Exchange <https://www.mathworks.com/matlabcentral/fileexchange/>_ as an Add-On

• Usage changes:

• euphonic_sf has been removed

• euphonic_on has been removed

• Force constants are now a separate object (ForceConstants) rather than
  passing these arguments to euphonic_sf

• The model parameters are set in a CoherentCrystal model object, rather than
  passing these parameters to euphonic_sf

• The function handle to be passed to disp2sqw_eval is CoherentCrystal.horace_disp rather than euphonic_sf

• The dw_grid argument has been renamed to debye_waller_grid

• fall_back_on_python argument has been removed as this has been removed in Euphonic

For more detailed help see the documentation <https://horace-euphonic-interface.readthedocs.io/en/latest/>_