Published September 21, 2016
| Version v4.3.2
Software
Open
materialsproject/pymatgen: v4.3.2
Authors/Creators
- Shyue Ping Ong1
- gmatteo
- Michiel van Setten2
- Will Richards
- Xiaohui Qu
- Geoffroy Hautier
- Anubhav Jain3
- Stephen Dacek
- Bharat Medasani4
- cedergroupclusters
- Kiran Mathew3
- Richard Tran
- Joseph Montoya
- Michael
- Sai Jayaraman
- Shyam Dwaraknath5
- yanikou19
- Germain Salvato Vallverdu6
- Guido Petretto
- Dan Gunter5
- Saurabh Bajaj7
- Bruno Rousseau
- ndardenne
- Nils Zimmermann7
- Miao Liu8
- Muratahan Aykol5
- Zihan XU
- Nav Nidhi Rajput5
- zacharygibbs
- Patrick Huck7
- 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
- 7. Lawrence Berkeley National Laboratory
- 8. LBL
Description
- Massive speedup of Bandstructure, especially projected band structures, parsing.
- Massive update to pmg cli script, with new query functions as well as a more rational command structure.
- Updates to ChemEnv.
- Misc bug fixes.
Files
materialsproject/pymatgen-v4.3.2.zip
Files
(99.6 MB)
| Name | Size | Download all |
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md5:1d2068a9ef2c38ca0846283ace20f764
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v4.3.2 (URL)