RMSD and Rotational Constants Modules #230

Merged

haneug merged 28 commits into

faccts:mainfrom

crjacinto:feature-rmsd

Jul 13, 2026

Commits on Jun 10, 2026

Commits on Jun 15, 2026

Modified structure.py modules: RMSD and RotConst. Updated corresponding unit tests.
crjacinto
committed
Fixed some typos on structure.py and added some docstrings in test_rmsd.py
crjacinto
committed

Commits on Jul 2, 2026

Fixed typos, added explanatory docstrings and polished the code
crjacinto
committed

Commits on Jul 10, 2026

Modified change log
crjacinto
committed
Modified mass priority for rotational constants calculation. Corrected speed of light units. Cleaned up unit tests for RMSD and RotConst. Modifed changelog
crjacinto
committed
Fixed merge issues
crjacinto
committed