[PRE REVIEW]: ThermoParser: Streamlined Analysis of the Thermoelectric Properties

[editorialbot]

Submitting author: @kbspooner (Kieran B. Spooner)
Repository: https://github.com/SMTG-Bham/ThermoParser
Branch with paper.md (empty if default branch): joss-paper
Version: 3.0.0
Editor: @mbarzegary
Reviewers: @enricgrau
Managing EiC: Kevin M. Moerman

Status

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[editorialbot]

Software report:

github.com/AlDanial/cloc v 1.88  T=0.90 s (273.4 files/s, 240213.9 lines/s)
-------------------------------------------------------------------------------
Language                     files          blank        comment           code
-------------------------------------------------------------------------------
YAML                            10           2758             64          86098
JSON                             2              0              0          45796
HTML                            78           3655            231          26107
JavaScript                      18           4504           4502          16705
Python                          64           2762           3765           9291
SVG                              2              0              0           5342
CSS                              8            475             73           1785
reStructuredText                56            597            644           1306
TeX                              1             28              1            276
Markdown                         3             37              0            126
Bourne Shell                     3              7              0             31
DOS Batch                        1              8              1             26
make                             1              4              7              9
-------------------------------------------------------------------------------
SUM:                           247          14835           9288         192898
-------------------------------------------------------------------------------


gitinspector failed to run statistical information for the repository

[editorialbot]

Wordcount for paper.md is 1337

[editorialbot]

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

OK DOIs

- 10.1103/PhysRevB.84.180301 is OK
- 10.1103/PhysRevB.88.144301 is OK
- 10.1103/PhysRevB.87.104111 is OK
- 10.1103/PhysRevB.91.094306 is OK
- 10.1016/j.scriptamat.2015.07.021 is OK
- 10.1016/j.cpc.2014.02.015 is OK
- 10.1039/d0ta00690d is OK
- 10.1039/d0ta02247k is OK
- 10.1109/mcse.2007.55 is OK
- 10.1016/j.commatsci.2012.10.028 is OK
- 10.1016/j.cpc.2006.03.007 is OK
- 10.21105/joss.00717 is OK
- 10.1088/0953-8984/26/22/225402 is OK
- 10.1038/s41467-021-22440-5 is OK

MISSING DOIs

- 10.1016/j.commatsci.2021.111152 may be a valid DOI for title: TOSSPB: Thermoelectric Optimization Based on Scattering-Dependent Single-Parabolic Band Model
- 10.1016/j.cpc.2010.08.027 may be a valid DOI for title: EPW: A Program for Calculating the Electron–Phonon Coupling Using Maximally Localized Wannier Functions
- 10.1016/j.cpc.2018.05.010 may be a valid DOI for title: BoltzTraP2, a Program for Interpolating Band Structures and Calculating Semi-Classical Transport Coefficients
- 10.1016/j.cpc.2021.107970 may be a valid DOI for title: Perturbo: A Software Package for ab Initio Electron–Phonon Interactions, Charge Transport and Ultrafast Dynamics
- 10.1038/s41524-020-0316-7 may be a valid DOI for title: EPIC STAR: a Reliable and Efficient Approach for Phonon-and Impurity-Limited Charge Transport Calculations
- 10.1016/j.cpc.2023.108670 may be a valid DOI for title: ElecTra Code: Full-Band Electronic Transport Properties of Materials
- 10.1002/adts.201800184 may be a valid DOI for title: The Hiphive Package for the Extraction of High-Order Force Constants by Machine Learning

INVALID DOIs

- None

[editorialbot]

👉📄 Download article proof 📄 View article proof on GitHub 📄 👈

[editorialbot]

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[kbspooner]

Our suggested reviewers are lucydot and mkhorton

[Kevin-Mattheus-Moerman]

Note to other editors, this is an expanded/improved re-submission of: #3012

[Kevin-Mattheus-Moerman]

@mbarzegary is this something you think you could help edit?

[Kevin-Mattheus-Moerman]

@editorialbot assign @mbarzegary as editor

[editorialbot]

Assigned! @mbarzegary is now the editor

[Kevin-Mattheus-Moerman]

@kbspooner has agreed to edit this work. However he'll likely start towards the end of this month as he has several other papers to attend to as well.

[mbarzegary]

Hi @mkhorton @dyllamt 👋
Considering your expertise, would any of you be willing to review this submission for JOSS? As you may know, we carry out our checklist-driven reviews here in GitHub issues and follow these guidelines: https://joss.readthedocs.io/en/latest/review_criteria.html

Paper: https://raw.githubusercontent.com/openjournals/joss-papers/joss.06218/joss.06218/10.21105.joss.06218.pdf
Software: https://github.com/SMTG-Bham/ThermoParser

[mkhorton]

This looks like an excellent tool, I’d definitely have thoughts! Compliments to @kbspooner and team.

Unfortunately I have to decline the review due to time constraints. I was quite delayed with the last JOSS submission I reviewed and I’d prefer to defer to other people who would be able to review more promptly out of consideration to the authors.

[mbarzegary]

No problem @mkhorton. Thank you for informing me.

[mbarzegary]

Hi @enricgrau, @jranalli, @gdmiron 👋
Considering that you have already published your software in JOSS, would any of you be willing to review this submission? As you know, we carry out our checklist-driven reviews here in GitHub issues and follow these guidelines: https://joss.readthedocs.io/en/latest/review_criteria.html

Paper: https://raw.githubusercontent.com/openjournals/joss-papers/joss.06218/joss.06218/10.21105.joss.06218.pdf
Software: https://github.com/SMTG-Bham/ThermoParser

[jranalli]

I'd be happy to do a review for JOSS at some point, but I'm sorry to say that this particular topic is well outside my area of expertise. I don't have any experience related to material science or with the types of data that this is designed to handle that would allow me to provide any real insight into this software. So, I don't think I'd be comfortable trying to review it. Sorry!

[enricgrau]

@mbarzegary I'm willing to review, however it is not exactly my area of expertise. If you think this is ok I'll be happy to participate 😉

[mbarzegary]

No problem @jranalli. Thank you for informing me.

[mbarzegary]

@enricgrau since the tool is focused on the visualization and data analysis (rather than the core computation) and you have experience in open source development of such tools in materials science, I believe than you can contribute to the review of this submission (and improving it if needed). Please let me know if you have time to do it.

[mbarzegary]

Hi @ksunden, @espottesmith, @hgandhi2411, @fnattino 👋
Considering that you have already reviewed for JOSS, would any of you be willing to review this submission? As you know, we carry out our checklist-driven reviews here in GitHub issues and follow these guidelines: https://joss.readthedocs.io/en/latest/review_criteria.html

Paper: https://raw.githubusercontent.com/openjournals/joss-papers/joss.06218/joss.06218/10.21105.joss.06218.pdf
Software: https://github.com/SMTG-Bham/ThermoParser

[enricgrau]

@mbarzegary Yes I can start reviewing within the next four weeks. 😄

[fnattino]

I would also be happy to review @mbarzegary

[espottesmith]

Seems like this is covered, but if you need another reviewer, I'm happy to help.

[hgandhi2411]

Hi @mbarzegary! Happy to review this submission, if you need more reviewers. Thanks!

[mbarzegary]

Thank you @fnattino @espottesmith @hgandhi2411
@hgandhi2411 since we already have 3 reviewers for this submission, I will tag you later in other relevant JOSS reviews.

[mbarzegary]

@editorialbot add @enricgrau as reviewer

[mbarzegary]

@editorialbot add @fnattino as reviewer

[mbarzegary]

@editorialbot add @espottesmith as reviewer

[editorialbot]

@espottesmith added to the reviewers list!

[editorialbot]

@fnattino added to the reviewers list!

[editorialbot]

@enricgrau added to the reviewers list!

[mbarzegary]

@editorialbot start review

[editorialbot]

OK, I've started the review over in #6340.