Published July 30, 2015
| Version v3.1.2
Software
Open
pymatgen: v3.1.2
Authors/Creators
- Shyue Ping Ong1
- Michiel van Setten2
- gmatteo
- Will Richards
- Geoffroy Hautier
- Xiaohui Qu
- Stephen Dacek
- Bharat Medasani3
- cedergroupclusters
- Anubhav Jain4
- Richard Tran
- Michael
- Sai Jayaraman
- Wei Chen
- yanikou19
- Dan Gunter5
- ndardenne
- Germain Salvato Vallverdu6
- Nav Nidhi Rajput5
- zacharygibbs
- Zihan XU
- Patrick Huck7
- Guido Petretto
- wenhaosun
- rgmumufeng
- leicheng
- petousis
- Bruno Rousseau
- Miao Liu8
- Alan Dozier9
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley National Lab
- 4. Lawrence Berkeley 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
- 9. NIOSH
Description
- HHI Resource Analysis (by Anubhav Jain).
- Bug fixes for surfaces normalizatino.
- Bug fix for Vasprun parsing of response function keys.
- Dockerfile for generation of an image for pymatgen.
- Updated requirements.txt for latest requests, scipy, numpy.
Files
pymatgen-v3.1.2.zip
Files
(60.2 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:814a9fe6673a3e76470100ec421409cc
|
60.2 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v3.1.2 (URL)