v1.4

Release Notes for Version 1.4

The new version of cellconstructor introduces compatibility with python 3.11 and a series of bugfixes.
Most importantly:

• The spectral function multiprocessing now works and automatically reorders the results, allowing for efficiently compute the spectral function in parallel on multiple cores
• Phono3py and SSCHA conversion in the Methods section have improved documentation and bugfixes

This version is required to work with python-sscha >= 1.4, which allows for a 100x boost in performances.

What's Changed

• Fixed Functions for Translation: Enhanced translation functions between Phono3py and SSCHA. Contributed by @DjordjeDangic. PR #70
• Spectral Function Multiprocessing: Improved multiprocessing in spectral function. Twice contributed by @diegomartinez2. PR #45 and PR #80
• Settings Compatibility Bug Fix: Resolved a compatibility issue with Python 3.11 in Settings. Contributed by @bastonero. PR #73
• Bug Fix in Group Velocities: Addressed a small bug in group velocities calculations which prevented the calculation of thermal transport correctly. Contributed by @DjordjeDangic. PR #74

New Contributors

• @bastonero made their first contribution in PR #73.

Full Changelog