Published January 16, 2017
| Version v4.6.0
Software
Open
materialsproject/pymatgen: v4.6.0
Authors/Creators
- Shyue Ping Ong1
- gmatteo
- Michiel van Setten2
- Will Richards
- Xiaohui Qu
- Anubhav Jain3
- Geoffroy Hautier
- Stephen Dacek
- Bharat Medasani4
- cedergroupclusters
- Kiran Mathew3
- Richard Tran
- Joseph Montoya
- Michael
- Sai Jayaraman
- Shyam Dwaraknath5
- Germain Salvato Vallverdu6
- yanikou19
- Guido Petretto
- Dan Gunter5
- Saurabh Bajaj7
- Bruno Rousseau
- Nils Zimmermann7
- ndardenne
- Miao Liu8
- Alireza Faghanina
- Muratahan Aykol5
- fraricci
- Zihan XU
- Nav Nidhi Rajput5
- 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
- Improve support for alternative settings in SpaceGroup.
- Fix respect for user_incar_settings in MPNonSCFSet and MPSOCSet
- Support for argcomplete in pmg script.
- Speed ups to Ewald summation.
- Add functionality to parse frequency dependent dielectric function.
- Improvements to Bolztrap support.
Files
materialsproject/pymatgen-v4.6.0.zip
Files
(105.1 MB)
| Name | Size | Download all |
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md5:fc043b47c703e76b6ad7c3f451de22f7
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v4.6.0 (URL)