RIMSEval v2.0.0.dev4

Pre-release

Pre-release

trappitsch released this 10 Mar 17:45

· 144 commits to main since this release

Add a sort_integrals() function to the CRDFileProcessor that sorts integral definitions by mass in ascending order.

What's Changed

Update PyPi authentication to use API Token by @trappitsch in #22
Add method to sort integrals by @trappitsch in #23
Bump version to 2.0.0.dev4 by @trappitsch in #24

Full Changelog: v2.0.0.dev3...v2.0.0.dev4

Contributors

trappitsch

Assets 2