Published February 13, 2018
| Version v2018.2.13
Software
Open
materialsproject/pymatgen: v2018.2.13
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
- Nils Zimmermann5
- Richard Tran
- Shyam Dwaraknath6
- Matthew Horton7
- Michael
- Sai Jayaraman
- Germain Salvato Vallverdu8
- yanikou19
- Guido Petretto
- fraricci
- Zhi Deng
- Dan Gunter6
- Tess
- Oskar Weser
- Saurabh Bajaj5
- Alireza Faghanina
- ndardenne
- Bruno Rousseau
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley Lab
- 4. Lawrence Berkeley National Lab
- 5. Lawrence Berkeley National Laboratory
- 6. LBNL
- 7. UC Berkeley, LBNL
- 8. Université de Pau et des Pays de l'Adour, IPREM
Description
- Improved chemenv parameters and bug fixes (David Waroquiers).
- Improved Qchem IO (Shyam).
- Improved interfacial reactions.
- local_env update (Nils).
- Improved ABINIT support (@gmatteo).
- Misc bug fixes.
Files
materialsproject/pymatgen-v2018.2.13.zip
Files
(159.8 MB)
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v2018.2.13 (URL)