Published August 4, 2017
| Version v2017.8.4
Software
Open
materialsproject/pymatgen: v2017.8.4
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
- Michael
- Shyam Dwaraknath5
- Sai Jayaraman
- Matthew Horton6
- Nils Zimmermann7
- Germain Salvato Vallverdu8
- yanikou19
- Guido Petretto
- fraricci
- Dan Gunter5
- Tess
- Saurabh Bajaj7
- Zhi Deng
- ndardenne
- Bruno Rousseau
- Miao Liu9
- Muratahan Aykol
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley Lab
- 4. Lawrence Berkeley National Lab
- 5. LBNL
- 6. UC Berkeley, LBNL
- 7. Lawrence Berkeley National Laboratory
- 8. Université de Pau et des Pays de l'Adour, IPREM
- 9. LBL
Description
- Major refactoring and improvements to lammps io. (Kiran)
- Major improvements to BaderAnalysis. (Joey and Zhi)
- Major improvements to Magmom support in cifs, SOC calculations, etc. (Matthew Horton)
- Add remove_site_property function. Add magmom for Eu3+ and Eu2+.
- BoltztrapAnalyzer/Plotter support for seebeck effective mass and complexity factor (fraricci)
Files
materialsproject/pymatgen-v2017.8.4.zip
Files
(154.8 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:e0036bec06757b6e38fa1180e111a172
|
154.8 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v2017.8.4 (URL)