AutoTST Update (Python 3.9)#96

Merged

rwest merged 9 commits into

mainfrom

Apr 27, 2026

Commits on Apr 7, 2026

Fix AtomTypeError in TS symmetry calculation with graph fallback
calvinp0
committed
Updated environment to Python 3.9
calvinp0
committed
Add utility functions for project directory paths and update README instructions
calvinp0
committed
Refactor job handling to improve scratch directory management and enhance test paths
calvinp0
committed
Refactor file path handling to utilize utility functions for database and test data directories
calvinp0
committed
Refactor test files to use utility functions for directory paths and improve path handling
calvinp0
committed
Refactor Gaussian class to use pop method for parameter removal and update test setup to utilize utility functions for directory paths
calvinp0
committed
Update Makefile to use pytest for unit testing
calvinp0
committed
Add GitHub Actions CI workflow for automated testing
calvinp0
committed