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[REVIEW]: ShakeNBreak: Navigating the defect configurational landscape #4817
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Hello humans, I'm @editorialbot, a robot that can help you with some common editorial tasks. For a list of things I can do to help you, just type:
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Review checklist for @mkhortonConflict of interest
Code of Conduct
General checks
Functionality
Documentation
Software paper
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Hi @rkurchin, I've finished my review. This is an excellent, high-quality code, well-motivated and well-documented--I think it's an exemplar for the community, and I would be happy to recommend publication in JOSS. In terms of the reproducibility checkbox for the data presented in the paper, for full reproducibility, I would have to re-run the DFT calculations myself, but I don't think this is really required: I'm satisfied the code itself does what it claims, and testing the DFT relaxation seems unnecessary. For the authors @ireaml et al., I would make these some comments:
Overall, really really excellent! The GIF in the docs is especially a nice touch :) Thanks for your patience while I prepared this review. |
Thanks, @mkhorton, we have been talking already and I'm super interested in incorporating this into the defects workflow in atomate2. |
Review checklist for @obaicaConflict of interest
Code of Conduct
General checks
Functionality
Documentation
Software paper
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Hi @rkurchin, I've finished my review. This is an excellent and easy-to-use (e.g., includes a user-friendly command line interface) code that provides new insights for the defect research community. With this tool, I believe it will enable researchers to gain a deeper and more accurate understanding of defect-related properties, and I would highly recommend it for publication in JOSS. For the authors @ireaml et al., some comments are listed below.
Finally, I hope that more researchers in the defect community will use this tool for their research, or even combine Thank you very much for your patience due to my delay in this review process. |
Hi @mkhorton, thanks for the helpful review! Regarding the comments:
Thanks again! :) |
Hi @obaica , thanks for the detailed review - good catch on the typo!
Thanks again! :) |
Great, looks like we're almost ready to rock here! Thanks everyone! @ireaml, I'll do an editorial pass over the manuscript and send any comments shortly. In the meantime, the next steps for you are:
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@editorialbot check references |
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@editorialbot generate pdf |
Some minor editorial suggestions:
Otherwise, looks good! |
👋 @openjournals/bcm-eics, this paper is ready to be accepted and published. Check final proof 👉📄 Download article If the paper PDF and the deposit XML files look good in openjournals/joss-papers#3764, then you can now move forward with accepting the submission by compiling again with the command |
@ireaml I am the AEiC for this track, and here to help process this work for acceptance in JOSS. I checked your repository, the paper, and the archive and all seems in order. I have only some minor points on the paper which I hope you can address:
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@editorialbot generate pdf |
Hi @Kevin-Mattheus-Moerman , thanks for the suggestions! They have been addressed with 49097747. |
@ireaml thanks, all system go so. |
@editorialbot accept |
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@openjournals/dev can you help address this? ☝️ |
@Kevin-Mattheus-Moerman You can regenerate the final pdf reaccepting the paper via |
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🌈 Paper updated! New PDF and metadata files 👉 openjournals/joss-papers#3771 |
🎉🎉🎉 Congratulations on your paper acceptance! 🎉🎉🎉 If you would like to include a link to your paper from your README use the following code snippets:
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Submitting author: @ireaml (Irea Mosquera-Lois)
Repository: https://github.com/SMTG-UCL/ShakeNBreak
Branch with paper.md (empty if default branch):
Version: 22.11.6
Editor: @rkurchin
Reviewers: @obaica, @mkhorton
Archive: 10.5281/zenodo.7377173
Status
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Please avoid lengthy details of difficulties in the review thread. Instead, please create a new issue in the target repository and link to those issues (especially acceptance-blockers) by leaving comments in the review thread below. (For completists: if the target issue tracker is also on GitHub, linking the review thread in the issue or vice versa will create corresponding breadcrumb trails in the link target.)
Reviewer instructions & questions
@obaica & @mkhorton, your review will be checklist based. Each of you will have a separate checklist that you should update when carrying out your review.
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The reviewer guidelines are available here: https://joss.readthedocs.io/en/latest/reviewer_guidelines.html. Any questions/concerns please let @rkurchin know.
✨ Please start on your review when you are able, and be sure to complete your review in the next six weeks, at the very latest ✨
Checklists
📝 Checklist for @mkhorton
📝 Checklist for @obaica
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