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@STIK98 STIK98 commented Mar 19, 2025

The last time I made a pull request for multiple features, after some coding courses and an excellent IT wizard, I decided to tackle one feature at a time. This is the adjustment of the cross-section calculation, with hopefully the necessary workflow checks and commands running locally before pushing to GitHub. Hopefully, everything works now! If not, I would love to hear it!

STIK98 added 4 commits March 19, 2025 16:42
Made the cross section calculation similar to that of López-Puertas et al. 2013
adjusted the original code from the nasa ames pahdb database and fixed two small
errors such as correct references to Draine & Li 2007 and Li & Draine 2001.
implemented the nc>40 requirement for the cutoff frequency,
and replaced the charge !=0 with the updated 2008 code.
@STIK98 STIK98 changed the title absorption cross section adjustment absorption cross section adjustment [WIP] Mar 19, 2025
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STIK98 commented Mar 19, 2025

I forgot to incorporate this comment: #23 (comment). So right now this PR is still a WIP.

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PAHdb commented Mar 19, 2025

Hi Florence,

Unfortunately, the CI failed. You will need to update the unit tests as well, as the new cross-sections will result in slightly different temperatures and intensities. The old code yielded 1822.336528 K while the updated code yields 1822.189154 K; a very small difference, but one caught by the unit test.

Breaking things up into smaller, feature-specific pull-requests make total sense. I'm glad you aren't discouraged yet by the often finicky nature of CI.

You can close your other pull-request if you're going forward with smaller ones like this.

I noted your WIP.

Good luck, take care, and best wishes,
Christiaan

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2 participants