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Releases: hackingmaterials/amset

v0.2.0

07 Oct 05:41
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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.

v0.1.3

21 Jul 22:53
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Bug fix for latest quadpy version.

v0.1.2

20 Jul 22:43
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Fix pypi description.

v0.1.1

20 Jul 22:23
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Add release and packaging support.

v0.1.0

20 Jul 21:06
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Initial release containing:

  • amset command line tool
  • Ionized impurity, acoustic deformation potential, piezeoelectric, and polar
    optical phonon scattering.
  • Quantum mechanical wave function overlaps.
  • Modified tetrahedron integration.