amset 0.2.0

v0.2.0

on Python PyPI

Major update with many new features:

• Elastic, dielectric, and piezoelectric tensors are now supported.
• Wave function coefficients are now desymmetrised on the fly, meaning wavefunction.h5 files are much smaller.
• New tool to extract wave function coefficients that removes the pawpyseed and is much faster. This is a python only implementation and doesn't require compiling any additional codes.
• Mesh properties (scattering rates etc, energies, velocities) stored in a separate mesh.h5 file which is much smaller and faster to read.
• Revamped unit tests.

Lots of bug fixes, including fixing compatibility with quadpy.