Published July 2, 2016
| Version v4.0.0
Software
Open
pymatgen: v4.0.0
Authors/Creators
- Shyue Ping Ong1
- gmatteo
- Michiel van Setten2
- Will Richards
- Xiaohui Qu
- Geoffroy Hautier
- Anubhav Jain3
- Stephen Dacek
- Bharat Medasani4
- cedergroupclusters
- Richard Tran
- Joseph Montoya
- Kiran Mathew3
- Michael
- Sai Jayaraman
- yanikou19
- Shyam Dwaraknath5
- Germain Salvato Vallverdu6
- Guido Petretto
- Dan Gunter5
- Bruno Rousseau
- ndardenne
- Nils Zimmermann7
- Miao Liu8
- Muratahan Aykol5
- Nav Nidhi Rajput5
- zacharygibbs
- Zihan XU
- Patrick Huck7
- Xin Chen
- 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
- Massive update with many deprecated methods removed. Note that this may break backwards incompatibility!
- Support for ABINIT 8.
- Improved sulfide compatibility.
Files
pymatgen-v4.0.0.zip
Files
(67.5 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:966f1524e4ebd7c9eab6a514bfed5415
|
67.5 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v4.0.0 (URL)