Closed kirk0830 closed 2 months ago
The recent changes enhance functionality and error handling across multiple scripts in the APNS project. Key updates include new utility functions for pseudopotential handling, refined descriptor validation, and improved error messaging. These modifications facilitate better data processing and visualization capabilities, ultimately aiming to improve clarity, maintainability, and usability for users transitioning between different versions of the APNS framework.
Files Changed | Change Summary |
---|---|
apns/analysis/apns1_utils.py |
New utility functions for pseudopotential name handling and valence retrieval added, improving legacy support. |
apns/analysis/apns2_ecoh_utils.py |
Enhanced descriptor comparison function with stricter validation criteria for better robustness. |
apns/analysis/apns2_eta_utils.py |
Introduced a new Fermi level calculation function, improving clarity and error handling in band structure analysis. |
apns/orbgen/postdft_ecoh.py apns/orbgen/postdft_eos.py |
Added functions for data loading and visualization, enhancing error feedback and supporting better output management. |
🐇 In the garden of code, we hop and we play,
With changes so bright, they brighten the day!
Functions refreshed, like dew on the grass,
Error checks bloom, and clarity's class.
Let's celebrate now, with a joyful cheer,
For every new feature brings us great cheer! 🎉
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Summary by CodeRabbit
New Features
Bug Fixes
Documentation