Published October 2, 2019
| Version v2019.10.2
Software
Open
materialsproject/pymatgen: v2019.10.2
Authors/Creators
- Shyue Ping Ong1
- gmatteo
- Michiel van Setten2
- Will Richards
- Joseph Montoya
- Anubhav Jain3
- Matthew Horton4
- Xiaohui Qu
- Richard Tran
- Samuel M. Blau5
- Danny Broberg
- Kiran Mathew3
- Geoffroy Hautier
- Shyam Dwaraknath6
- Stephen Dacek
- David Waroquiers
- Bharat Medasani7
- cedergroupclusters
- Nils Zimmermann8
- Evan Spotte-Smith8
- J. George9
- fraricci
- Michael
- Alex Ganose10
- Sai Jayaraman
- Zhi Deng
- Guido Petretto
- dongsenfo
- Germain Salvato Vallverdu11
- yanikou19
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley Lab
- 4. LBNL, UC Berkeley
- 5. Lawrence Berkeley National Lab
- 6. LBNL
- 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
- IRSpectra class (@henriquemiranda)
- Much faster get_neighbors written in Cython (@chc273).
- VolumetricData allows for sum or substraction of data with different structures, with warnings.
Files
materialsproject/pymatgen-v2019.10.2.zip
Files
(194.1 MB)
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v2019.10.2 (URL)