Published August 10, 2016
| Version v1
Software
Open
pymatgen: v0.5.0
Authors/Creators
- Shyue Ping Ong1
- gmatteo
- Michiel van Setten2
- Will Richards
- Xiaohui Qu
- Geoffroy Hautier
- Anubhav Jain3
- Stephen Dacek
- Bharat Medasani4
- cedergroupclusters
- Richard Tran
- Kiran Mathew3
- Joseph Montoya
- Michael
- Sai Jayaraman
- Shyam Dwaraknath5
- yanikou19
- Germain Salvato Vallverdu6
- Guido Petretto
- Dan Gunter5
- Bruno Rousseau
- ndardenne
- Nils Zimmermann7
- Miao Liu8
- Muratahan Aykol5
- Zihan XU
- Nav Nidhi Rajput5
- zacharygibbs
- Saurabh Bajaj7
- Patrick Huck7
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley Lab
- 4. Lawrence Berkeley National Lab
- 5. LBNL
- 6. Université de Pau et des Pays de l'Adour, IPREM, Équipe de Chimie Physique
- 7. Lawrence Berkeley National Laboratory
- 8. LBL
Description
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
Files
pymatgen-v0.5.0.zip
Files
(68.9 MB)
| Name | Size | Download all |
|---|---|---|
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md5:9fea189ee44e130176109d3eeb4d07ca
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68.9 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v0.5.0 (URL)