Published October 16, 2020
| Version 0.9.9
Software
Open
matador: v0.9.9
Description
matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery electrode materials.
0.9.9 (#131)
- Added support for CASTEP kpoint path
BREAKdirective (#107) - Improvements to magres plotting and magres workflow (#112)
- Added ability to scrape electric field gradient values and compute quadrupolar quantities from NMR calculations (#115)
- Added ability to run all several examples under Binder (#106, #130).
- JOSS paper accepted! (#129)
Files
ml-evs/matador-0.9.9.zip
Files
(17.6 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:5cc39793ad4e6fc61372dd4016c0e7d3
|
17.6 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/ml-evs/matador/tree/0.9.9 (URL)