Published December 30, 2017
| Version v2017.12.30
Software
Open
materialsproject/pymatgen: v2017.12.30
Authors/Creators
- Shyue Ping Ong1
- gmatteo
- Michiel van Setten2
- Will Richards
- Xiaohui Qu
- Joseph Montoya
- Anubhav Jain3
- Kiran Mathew3
- Geoffroy Hautier
- Stephen Dacek
- Bharat Medasani4
- cedergroupclusters
- Richard Tran
- Shyam Dwaraknath5
- Michael
- Sai Jayaraman
- Nils Zimmermann6
- Matthew Horton7
- Germain Salvato Vallverdu8
- yanikou19
- Guido Petretto
- fraricci
- Dan Gunter5
- Zhi Deng
- Tess
- Oskar Weser
- Saurabh Bajaj6
- Alireza Faghanina
- ndardenne
- Bruno Rousseau
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley Lab
- 4. Lawrence Berkeley National Lab
- 5. LBNL
- 6. Lawrence Berkeley National Laboratory
- 7. UC Berkeley, LBNL
- 8. Université de Pau et des Pays de l'Adour, IPREM
Description
- Added detailed Shannon radii information and method.
- Magoms for lanthanides (Weike Ye)
- Chemenv improvements (David Waroquiers)
- Ewald summation improvements (Logan Ward)
- Update to ABINIT support (G Matteo)
Files
materialsproject/pymatgen-v2017.12.30.zip
Files
(158.9 MB)
| Name | Size | Download all |
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md5:27d394343743595c6fc6a3cafe01b261
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v2017.12.30 (URL)