Published August 7, 2018
| Version v2018.8.7
Software
Open
materialsproject/pymatgen: v2018.8.7
Creators
- Shyue Ping Ong1
- gmatteo
- Michiel van Setten2
- Will Richards
- Joseph Montoya
- Xiaohui Qu
- Anubhav Jain3
- Kiran Mathew3
- Geoffroy Hautier
- Stephen Dacek
- Shyam Dwaraknath4
- Richard Tran
- David Waroquiers
- Bharat Medasani5
- cedergroupclusters
- Nils Zimmermann6
- Danny Broberg
- Matthew Horton7
- samblau
- Michael
- Sai Jayaraman
- Zhi Deng
- Guido Petretto
- Germain Salvato Vallverdu8
- yanikou19
- Alireza Faghanina9
- Logan Ward10
- fraricci
- Brandon Wood
- Dan Gunter4
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley Lab
- 4. LBNL
- 5. Lawrence Berkeley National Lab
- 6. Lawrence Berkeley National Laboratory
- 7. UC Berkeley, LBNL
- 8. Université de Pau et des Pays de l'Adour, IPREM
- 9. Berkeley National Lab
- 10. University of Chicago, @globus-labs
Description
- Massive refactoring of LAMMPS support. (@adengz)
- Allow kwargs passthrough for Structure.to.
- Updates to ABINIT support (@gmatteo)
- GrainBoundaryTransformation class. (@Tinaatucsd)
Files
materialsproject/pymatgen-v2018.8.7.zip
Files
(175.1 MB)
| Name | Size | Download all |
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md5:b67e1790dae2ba05369cd0d44478af67
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v2018.8.7 (URL)