Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ ZENODOarrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2024
License: CC BY
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2024
License: CC BY
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2025
License: CC BY
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2025
License: CC BY
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2025
License: CC BY
Data sources: ZENODO
ZENODO
Software . 2026
License: CC BY
Data sources: Datacite
ZENODO
Software . 2024
License: CC BY
Data sources: Datacite
ZENODO
Software . 2024
License: CC BY
Data sources: Datacite
ZENODO
Software . 2026
License: CC BY
Data sources: Datacite
ZENODO
Software . 2026
License: CC BY
Data sources: Datacite
ZENODO
Software . 2025
License: CC BY
Data sources: Datacite
ZENODO
Software . 2025
License: CC BY
Data sources: Datacite
ZENODO
Software . 2025
License: CC BY
Data sources: Datacite
versions View all 8 versions
addClaim

materialsproject/atomate2: v0.1.1

Authors: Alex Ganose; Janosh Riebesell; J. George; Jimmy Shen; Andrew S. Rosen; Aakash Ashok Naik; nwinner; +20 Authors

materialsproject/atomate2: v0.1.1

Abstract

Bug Fixes 🐛 switch to CONTCAR read for LOBSTERTaskDoc by @naik-aakash in https://github.com/materialsproject/atomate2/pull/1204 cover cases where optimizer does additional steps even though step is set to 0 or 1 for writing xyz files by @JaGeo in https://github.com/materialsproject/atomate2/pull/1207 Remove walrus operator to avoid unassigned vmax by @Jonas-Finkler in https://github.com/materialsproject/atomate2/pull/1203 Enhancements 🛠 add file output xyz file including final atoms object to ase and forcefield jobs by @JaGeo in https://github.com/materialsproject/atomate2/pull/1206 Documentation 📖 Add video tutorials to README by @JaGeo in https://github.com/materialsproject/atomate2/pull/1191 be more concrete for tutorial video names in readme by @JaGeo in https://github.com/materialsproject/atomate2/pull/1192 Adding download statistics to readme by @JaGeo in https://github.com/materialsproject/atomate2/pull/1209 New Contributors @Jonas-Finkler made their first contribution in https://github.com/materialsproject/atomate2/pull/1203 Full Changelog: https://github.com/materialsproject/atomate2/compare/v0.0.20...v0.0.21 [contributors]: (CONTRIBUTOR SECTION) [nwinner]: https://github.com/nwinner [jageo]: https://github.com/JaGeo [zhuoying]: https://github.com/Zhuoying [jmmshn]: https://github.com/jmmshn [mkhorton]: https://github.com/mkhorton [QuantumChemist]: https://github.com/QuantumChemist [janosh]: https://github.com/janosh [mjwen]: https://github.com/mjwen [arosen]: https://github.com/Andrew-S-Rosen [rkingsbury]: https://github.com/rkingsbury [naik-aakash]: https://github.com/naik-aakash

  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    1
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average