Published December 12, 2015
| Version v3.2.9
Software
Open
pymatgen: v3.2.9
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
- Joseph Montoya
- yanikou19
- Germain Salvato Vallverdu5
- Dan Gunter6
- Guido Petretto
- Bruno Rousseau
- ndardenne
- Miao Liu7
- Nav Nidhi Rajput6
- zacharygibbs
- Zihan XU
- Patrick Huck8
- Xin Chen
- maartendft
- wenhaosun
- rgmumufeng
- Zhenbin Wang9
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley National Lab
- 4. Lawrence Berkeley Lab
- 5. Université de Pau et des Pays de l'Adour, IPREM, Équipe de Chimie Physique
- 6. LBNL
- 7. LBL
- 8. Lawrence Berkeley National Laboratory
- 9. UCSD
Description
- Major PD stability improvements, especially for very high dim hulls with lots of entries.
- Improvements to Ewald summation to be close to GULP implementation.
- Deprecate physical constants module in favor of scipy's version.
- Remove many pyhull references to use scipy's ConvexHull implementation.
- Bug fix for sulfide correction.
Files
pymatgen-v3.2.9.zip
Files
(61.0 MB)
| Name | Size | Download all |
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md5:a9cb7dd3f63b94245001a861ae5eb214
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v3.2.9 (URL)