Integrate changes from the group project#9

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danielhollas wants to merge 48 commits intomainfrom

Commits on Feb 10, 2025

Commits on Feb 12, 2025

Added UV autoinstall dependencies for all remaining python scripts, note that repre_sample_1D.py is also dependant on calc_spectrum_v2.py where repre_sample_2D.py is not.
Felix Mac-Fall
committed
Merge pull request #5 from hamruu/miloshevskamarija-comment-code
miloshevskamarija
authored

Commits on Feb 13, 2025

Merge pull request #7 from hamruu/felix-dependancies
hamruu
authored

Commits on Feb 14, 2025

Added a test project directory and help call (#10)
hamruu
authored
Felix branch (#11)

Fel1-x
and
Felix Mac-Fall
authored
Felix branch (#12)

Fel1-x
and
Felix Mac-Fall
authored

Commits on Feb 27, 2025

Added git.ignore, cleaned up repository
hamruu
committed

Commits on Mar 4, 2025

Cleanup (#23)
hamruu
authored

Commits on Mar 6, 2025

Acetaldehyde implementation (#24)

hamruu
and
Fel1-x
authored

Commits on Mar 7, 2025

Commits on Mar 9, 2025

Added the one state subsamples
Fel1-x
authored

Commits on Mar 17, 2025

added pytest to the ci file (#32)
nickhardman3
authored

Commits on Mar 18, 2025

Commits on Mar 20, 2025

Commits on Mar 24, 2025

Oscillator strength direct additions (#28)

Fel1-x
and
danielhollas
authored

Commits on Mar 25, 2025

Commits on Mar 26, 2025

Testing (#36)
nickhardman3
authored

Commits on Mar 27, 2025