v1.2.0
-
Improvements:
- Euphonic now tests on Python 3.11
- Euphonic now provides PyPI wheels for Python 3.11
-
New features:
- You can now perform linear interpolation of phonon frequencies and
eigenvectors with theBrille <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. - There is a new command-line tool
euphonic-brille-convergence
to
assist with choosing theBrilleInterpolator.from_force_constants
arguments to achieve the desired accuracy. - Brille interpolation can be accessed from the
euphonic-powder-map
tool
using the new--use-brille
,--brille-grid-type
,--brille-npts
and--brille-npts-density
arguments.
- You can now perform linear interpolation of phonon frequencies and