Published December 23, 2019
| Version v2019.12.22
Software
Open
materialsproject/pymatgen: v2019.12.22
Authors/Creators
- Shyue Ping Ong1
- gmatteo
- Michiel van Setten2
- Will Richards
- Joseph Montoya
- Matthew Horton3
- Anubhav Jain4
- Xiaohui Qu
- Richard Tran
- Samuel M. Blau5
- Danny Broberg
- Kiran Mathew4
- Geoffroy Hautier
- Shyam Dwaraknath6
- Stephen Dacek
- David Waroquiers
- Bharat Medasani7
- cedergroupclusters
- Nils Zimmermann8
- J. George9
- Evan Spotte-Smith8
- fraricci
- Alex Ganose10
- Michael
- Ryan Kingsbury11
- Sai Jayaraman
- Zhi Deng
- Guido Petretto
- dongsenfo
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. LBNL, UC Berkeley
- 4. Lawrence Berkeley Lab
- 5. Lawrence Berkeley National Lab
- 6. LBNL
- 7. Delaware Energy Institute
- 8. Lawrence Berkeley National Laboratory
- 9. Université catholique de Louvain
- 10. @hackingmaterials
- 11. The Materials Project, Lawrence Berkeley Natonal Laboratory
Description
- Improvements to reaction calculator (@mattmcdermott)
- VASP input set for SCAN from Materials Project, MPScanSet (@rkingsbury)
Files
materialsproject/pymatgen-v2019.12.22.zip
Files
(207.3 MB)
| Name | Size | Download all |
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md5:6354ddb8fc9833c18e4495c0d893355b
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v2019.12.22 (URL)