Published May 26, 2016
| Version v3.6.1
Software
Open
pymatgen: v3.6.1
Authors/Creators
- Shyue Ping Ong1
- Michiel van Setten2
- gmatteo
- Will Richards
- Xiaohui Qu
- Geoffroy Hautier
- Stephen Dacek
- Anubhav Jain3
- Bharat Medasani4
- cedergroupclusters
- Richard Tran
- Joseph Montoya
- Michael
- Sai Jayaraman
- yanikou19
- Germain Salvato Vallverdu5
- Guido Petretto
- Shyam Dwaraknath6
- Dan Gunter6
- Kiran Mathew3
- Bruno Rousseau
- ndardenne
- Miao Liu7
- Nils Zimmermann8
- Muratahan Aykol6
- Nav Nidhi Rajput6
- zacharygibbs
- Zihan XU
- Patrick Huck8
- Xin Chen
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley Lab
- 4. Lawrence Berkeley National 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
Description
- Massive cleanup to Boltztrap interface (Anubhav Jain)
- Refactor of piezoelectric analysis to use tensor base class (Joey)
- More robust CIF parsing.
Files
pymatgen-v3.6.1.zip
Files
(66.3 MB)
| Name | Size | Download all |
|---|---|---|
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md5:09ba09727047369360d1194a9bc908bf
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66.3 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v3.6.1 (URL)