Bring 2D IR Code into Line with the Other Spectroscopies

piskuliche / Spectroscopy

This is a code for calculating the computational spectroscopy of systems. Calculates IR, Raman, 2DIR, and SFG.

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Bring 2D IR Code into Line with the Other Spectroscopies #1

Closed piskuliche closed 6 months ago

piskuliche commented 6 months ago

Right now there are inconsistencies in how the 2D IR code is implemented, it uses its own unique data storage and functions rather than taking advantage of the Shared data library.

[x] #2
[x] #3

piskuliche commented 6 months ago

Closed with issues #2 and #3 completed.