Published May 28, 2019
| Version v2019.5.28
Software
Open
materialsproject/pymatgen: v2019.5.28
Creators
- Shyue Ping Ong1
- gmatteo
- Michiel van Setten2
- Will Richards
- Joseph Montoya
- Anubhav Jain3
- Xiaohui Qu
- Richard Tran
- Danny Broberg
- Kiran Mathew3
- Geoffroy Hautier
- Matthew Horton4
- Shyam Dwaraknath5
- Stephen Dacek
- David Waroquiers
- Samuel M. Blau6
- Bharat Medasani7
- cedergroupclusters
- Nils Zimmermann8
- Evan Spotte-Smith
- fraricci
- Michael
- Alex Ganose9
- Sai Jayaraman
- Zhi Deng
- J. George10
- Guido Petretto
- Germain Salvato Vallverdu11
- yanikou19
- Tess
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley Lab
- 4. UC Berkeley, LBNL
- 5. LBNL
- 6. Lawrence Berkeley National Lab
- 7. Delaware Energy Institute
- 8. Lawrence Berkeley National Laboratory
- 9. @hackingmaterials
- 10. Université catholique de Louvain
- 11. Université de Pau et des Pays de l'Adour, IPREM
Description
- New VASP Input Set "from previous" interface (@utf)
- ELFCAR support (@mkhorton)
- Improvements to plotting of band structures and densities of states (@ShuaishuaiYuan)
- Convenience functions added to Composition including chemical system convention (@mkhorton)
- Various bug fixes (@mkhorton, @utf)
- Improvements to MEGNET API (@shyuep)
- Improvements to Structure interpolation (@mturiansky)
Files
materialsproject/pymatgen-v2019.5.28.zip
Files
(181.7 MB)
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v2019.5.28 (URL)