Amset

Latest version: v0.4.20

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0.3.0

New features:

- `cache_wavefunction` option to control memory demand (see docs for more details).
- Revtex plot style support. Enabled by adding `--style revtex` to the end of
plotting commands.
- Support for spin–orbit coupling.
- Support for non-Gamma centered k-point meshes.
- Ability to extract deformation potential for specific bands.
- `zero_weighted_kpoints` option to control processing of zero-weighted k-points
(see the docs for more details).

Enhancements:

- Revamped lineshape plotter.
- Massive (~100x) speedup for calculating polar optical phonon frequency.
- Better handling of Fermi levels from VASP band structures.
- Speed up effective mass calculation, and cases where only basic scatterers are used.

0.2.2

Fix PyPi installation.

0.2.1

Fix GitHub releases.

0.2.0

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.

0.1.3

Bug fix for latest quadpy version.

0.1.2

Fix pypi description.

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