Published May 9, 2019
| Version v2019.5.8
Software
Open
materialsproject/pymatgen: v2019.5.8
Creators
- Shyue Ping Ong1
- gmatteo
- Michiel van Setten2
- Will Richards
- Joseph Montoya
- Anubhav Jain3
- Xiaohui Qu
- Richard Tran
- Danny Broberg
- Kiran Mathew3
- Geoffroy Hautier
- Shyam Dwaraknath4
- Matthew Horton5
- Stephen Dacek
- David Waroquiers
- Samuel M. Blau6
- Bharat Medasani7
- cedergroupclusters
- Nils Zimmermann8
- Evan Spotte-Smith
- fraricci
- Michael
- Sai Jayaraman
- Zhi Deng
- J. George9
- Alex Ganose10
- Guido Petretto
- Germain Salvato Vallverdu11
- yanikou19
- Tess
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley Lab
- 4. LBNL
- 5. UC Berkeley, LBNL
- 6. Lawrence Berkeley National Lab
- 7. Delaware Energy Institute
- 8. Lawrence Berkeley National Laboratory
- 9. Université catholique de Louvain
- 10. @hackingmaterials
- 11. Université de Pau et des Pays de l'Adour, IPREM
Description
- Numerous updates and improvements to defect classes (@dbroberg)
- New API for MEGNET models, see http://megnet.crystals.ai (@shyuep)
- Update to NMR symmeterization (@dongsenfo)
- Change CIF indexing (@kmu)
- Add BoltzTraP mode to NonSCF input sets (@utf)
Files
materialsproject/pymatgen-v2019.5.8.zip
Files
(181.5 MB)
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v2019.5.8 (URL)