forked from materialsproject/atomate2
-
Notifications
You must be signed in to change notification settings - Fork 0
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Merge remote-tracking branch 'upstream/main' into hiphive_trial
- Loading branch information
Showing
731 changed files
with
15,444 additions
and
968 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,116 @@ | ||
| cff-version: 1.2.0 | ||
| message: If you use this software, please cite it using these metadata. | ||
| title: atomate2 | ||
| doi: 10.5281/zenodo.10677081 | ||
| authors: | ||
| - given-names: Alex | ||
| family-names: Ganose | ||
| github: https://github.com/utf | ||
| affiliation: Imperial College London | ||
| orcid: 0000-0002-4486-3321 | ||
| - given-names: Janosh | ||
| family-names: Riebesell | ||
| github: https://github.com/janosh | ||
| affiliation: Cambridge University, Lawrence Berkeley National Laboratory | ||
| orcid: 0000-0001-5233-3462 | ||
| - given-names: Janine | ||
| family-names: George | ||
| github: https://github.com/JaGeo | ||
| affiliation: Federal Institute for Materials Research and Testing (BAM) | ||
| orcid: 0000-0001-8907-0336 | ||
| - given-names: Jimmy-Xuan | ||
| family-names: Shen | ||
| github: https://github.com/jmmshn | ||
| affiliation: Lawrence Livermore National Laboratory | ||
| orcid: 0000-0002-2743-7531 | ||
| - given-names: Andrew | ||
| family-names: Rosen | ||
| github: https://github.com/Andrew-S-Rosen | ||
| name-particle: S. | ||
| affiliation: Princeton University | ||
| orcid: 0000-0002-0141-7006 | ||
| - given-names: Aakash | ||
| family-names: Naik | ||
| github: https://github.com/naik-aakash | ||
| name-particle: Ashok | ||
| affiliation: Federal Institute for Materials Research and Testing (BAM) | ||
| - given-names: Nick | ||
| family-names: Winner | ||
| email: [email protected] | ||
| github: https://github.com/nwinner | ||
| affiliation: University of California, Berkeley | ||
| - given-names: Mingjian | ||
| family-names: Wen | ||
| github: https://github.com/mjwen | ||
| affiliation: University of Houston | ||
| - given-names: Rishabh | ||
| family-names: Guha | ||
| github: https://github.com/rdguha1995 | ||
| affiliation: Lawrence Berkeley National Laboratory | ||
| - given-names: Matthew | ||
| family-names: Kuner | ||
| github: https://github.com/matthewkuner | ||
| affiliation: University of California, Berkeley | ||
| - given-names: Guido | ||
| family-names: Petretto | ||
| github: https://github.com/gpetretto | ||
| affiliation: Université catholique de Louvain | ||
| - given-names: Zhuoying | ||
| family-names: Zhu | ||
| github: https://github.com/Zhuoying | ||
| affiliation: Lawrence Berkeley National Laboratory | ||
| - given-names: Matthew | ||
| family-names: Horton | ||
| github: https://github.com/mkhorton | ||
| affiliation: Microsoft Research | ||
| orcid: 0000-0001-7777-8871 | ||
| - given-names: Hrushikesh | ||
| family-names: Sahasrabuddhe | ||
| github: https://github.com/hrushikesh-s | ||
| affiliation: University of California, Berkeley | ||
| - given-names: Aaron | ||
| family-names: Kaplan | ||
| github: https://github.com/esoteric-ephemera | ||
| affiliation: Lawrence Berkeley National Laboratory | ||
| - given-names: Jonathan | ||
| family-names: Schmidt | ||
| github: https://github.com/JonathanSchmidt1 | ||
| affiliation: ETH Zurich | ||
| - given-names: Christina | ||
| family-names: Ertural | ||
| github: https://github.com/QuantumChemist | ||
| affiliation: Federal Institute for Materials Research and Testing (BAM) | ||
| - given-names: Ryan | ||
| family-names: Kingsbury | ||
| github: https://github.com/rkingsbury | ||
| affiliation: Princeton University | ||
| - given-names: Matt | ||
| family-names: McDermott | ||
| github: https://github.com/mattmcdermott | ||
| affiliation: Lawrence Berkeley National Laboratory | ||
| - given-names: Rhys | ||
| family-names: Goodall | ||
| github: https://github.com/CompRhys | ||
| affiliation: Chemix.ai | ||
| - given-names: Alexander | ||
| family-names: Bonkowski | ||
| github: https://github.com/ab5424 | ||
| affiliation: RWTH Aachen University | ||
| - given-names: Thomas | ||
| family-names: Purcell | ||
| github: https://github.com/tpurcell90 | ||
| affiliation: Fritz Haber Institute | ||
| - given-names: Daniel | ||
| family-names: Zügner | ||
| github: https://github.com/danielzuegner | ||
| affiliation: Microsoft Research | ||
| - given-names: Ji | ||
| family-names: Qi | ||
| github: https://github.com/JiQi535 | ||
| affiliation: University of California, San Diego | ||
| version: 0.0.13 | ||
| date-released: 2024-01-08 | ||
| repository-code: https://github.com/materialsproject/atomate2 | ||
| license: cc-by-4.0 | ||
| license-url: https://github.com/materialsproject/atomate2/blob/main/LICENSE | ||
| type: software |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Oops, something went wrong.