[REVIEW]: PourPy - A python package to generate potential-pH diagrams

editorialbot commented 7 months ago

Submitting author: !--author-handle-->@mohitpundir@rkurchin<!--end-editor-- Reviewers: @yaomz16, @sudarshanv01 Archive: 10.5281/zenodo.11213255

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editorialbot commented 5 months ago

Done! archive is now 10.5281/zenodo.11213255

rkurchin commented 5 months ago

Paper mostly looks good, but the $\Delta G_f^0$ on line 60 is still messed-up. Try doing it as $\Delta G_f^0$ instead of whatever it is now?

mohitpundir commented 5 months ago

@editorialbot generate pdf

editorialbot commented 5 months ago

:point_right::page_facing_up: Download article proof :page_facing_up: View article proof on GitHub :page_facing_up: :point_left:

mohitpundir commented 5 months ago

@editorialbot generate pdf

editorialbot commented 5 months ago

:point_right::page_facing_up: Download article proof :page_facing_up: View article proof on GitHub :page_facing_up: :point_left:

mohitpundir commented 5 months ago

@rkurchin I have corrected the delta G_f^° similar to delta G_r^° in the paper.

rkurchin commented 5 months ago

@editorialbot recommend-accept

editorialbot commented 5 months ago

Attempting dry run of processing paper acceptance...

editorialbot commented 5 months ago

Reference check summary (note 'MISSING' DOIs are suggestions that need verification):

OK DOIs

- 10.1063/1.4812323 is OK
- 10.1016/0098-3004(92)90029-Q is OK
- 10.3133/wri994259 is OK
- 10.3133/tm6a43 is OK
- 10.1007/978-1-4419-0455-3 is OK
- 10.1007/978-3-319-97625-9 is OK
- 10.1103/physrevb.85.235438 is OK
- 10.1021/acs.chemmater.7b03980 is OK
- 10.1021/acs.chemmater.7b03980.s001 is OK

MISSING DOIs

- No DOI given, and none found for title: Atlas d’Équilibres Électrochimiques: Eau Oxygénée

INVALID DOIs

- None

editorialbot commented 5 months ago

:wave: @openjournals/bcm-eics, this paper is ready to be accepted and published.

Check final proof :point_right::page_facing_up: Download article

If the paper PDF and the deposit XML files look good in https://github.com/openjournals/joss-papers/pull/5365, then you can now move forward with accepting the submission by compiling again with the command @editorialbot accept

mohitpundir commented 5 months ago

@rkurchin Do I have to do something regarding the final proof read?

Kevin-Mattheus-Moerman commented 5 months ago

@mohitpundir as AEiC for JOSS I will now help to process this submission for acceptance in JOSS. I have checked this review, your repository, the archive link, and the paper. Most seems in order, however the below are some points that require your attention:

[ ] On your repository, under tags, I cannot find one labelled 1.1.1 (it appears to only list a v3.0). I do see that the ZENODO archive listing has 1.1.1, however you should also have such a tagged release on the repository. We need to ensure that the version here matches the ZENODO archive listed license, but also that this version is a tagged release on the repository. So please do let us know if you will create a release with the label 1.1.1, or if a different tag is used and if the ZENODO listed version and the one here will need to be updated. Thanks.

Please check these typos:

[x] elminiates -> eliminates
[x] exhange -> exchange
[x] elecrons -> electrons

mohitpundir commented 5 months ago

@Kevin-Mattheus-Moerman Thank you for the suggestions. I have addressed the above points.

Kevin-Mattheus-Moerman commented 5 months ago

@editorialbot set v1.1.1 as version

editorialbot commented 5 months ago

Done! version is now v1.1.1

Kevin-Mattheus-Moerman commented 5 months ago

@editorialbot generate pdf

editorialbot commented 5 months ago

:point_right::page_facing_up: Download article proof :page_facing_up: View article proof on GitHub :page_facing_up: :point_left:

Kevin-Mattheus-Moerman commented 5 months ago

@mohitpundir one final point is to edit the version tag for ZENODO to read v1.1.1, so to include the v as well.

mohitpundir commented 5 months ago

@Kevin-Mattheus-Moerman Thanks. I have added the v to ZENODO tag.

Kevin-Mattheus-Moerman commented 5 months ago

@mohitpundir great. All looks good to go then.

Kevin-Mattheus-Moerman commented 5 months ago

@editorialbot accept

editorialbot commented 5 months ago

Doing it live! Attempting automated processing of paper acceptance...

Kevin-Mattheus-Moerman commented 5 months ago

@mohitpundir congratulations on this JOSS publication!!!!

Thanks for editing @rkurchin !

And a special thank you to the reviewers: @yaomz16, @sudarshanv01 !!

editorialbot commented 5 months ago

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editorialbot commented 5 months ago

🐘🐘🐘 👉 Toot for this paper 👈 🐘🐘🐘

editorialbot commented 5 months ago

🚨🚨🚨 THIS IS NOT A DRILL, YOU HAVE JUST ACCEPTED A PAPER INTO JOSS! 🚨🚨🚨

Here's what you must now do:

Check final PDF and Crossref metadata that was deposited :point_right: https://github.com/openjournals/joss-papers/pull/5404
Wait five minutes, then verify that the paper DOI resolves https://doi.org/10.21105/joss.06536
If everything looks good, then close this review issue.
Party like you just published a paper! 🎉🌈🦄💃👻🤘

Any issues? Notify your editorial technical team...

montoyjh commented 5 months ago

Hi! Really happy to see new and more Pourbaix diagram software, particularly with an API that's more friendly to corrosion domain experts.

I'm not sure if this is the appropriate venue to raise this point, but I don't think it's correct to say that pymatgen's energy minimization routines are performed at each pH-potential point. Pymatgen forms a pourbaix stability envelope on the basis of half-space intersections, which has quickhull's time-complexity O(n log n), worst case O(n^2), where n is the number of unique species present. As far as I can tell, the authors use a strategy which has a similar time-complexity, although I might be mistaken about that. I'm not sure whether ASE uses a pH-potential point-wise minimization (which I'd guess should be O(m n log n), where m is the total resolution, which can indeed be more expensive) but the way ASE plots look in their examples suggests that that's the strategy.

mohitpundir commented 5 months ago

@montoyjh Thank you for bringing this to our notice. Definitely it has been an overlook from our side. We would be happy to correct this mistake in the description of the pymatgen in the paper.

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