Commits · ff55679872ab965b8960f1e16407719cb43e29d2 · Potentials Workshop 2022 / workshop_preparation

Jul 15, 2022
- Add jupyter book config · 2d44e5e3
  Marvin Poul authored 2 years ago
  
  2d44e5e3
Jun 08, 2022
- added dft for DOS and Li_fcc · a908ec37
  qamarmt2 authored 2 years ago
  
  a908ec37
Jun 07, 2022
- fixed convexhull · 7d95a5ca
  qamarmt2 authored 2 years ago
  
  7d95a5ca
- fixed convexhull · 60afff22
  qamarmt2 authored 2 years ago
  
  60afff22
- added DFT ref for murnaghan plots · a9519a08
  qamarmt2 authored 2 years ago
  
  a9519a08
- added runner · 3bf1a855
  qamarmt2 authored 2 years ago
  
  3bf1a855
Jun 03, 2022
- Add most recent version of the HDNNP. · e1b4e84f
  Alexander Knoll authored 2 years ago
  
  e1b4e84f
- Working examples with 2 pots · 326c74d0
  qamarmt2 authored 2 years ago
  
  326c74d0
May 30, 2022
- pre-finalized validation ntbk · 2c83d98c
  Minaam Qamar authored 2 years ago
  
  2c83d98c
May 06, 2022
- add tm calcs · 6a4024d1
  srmnitc authored 2 years ago
  
  6a4024d1
May 04, 2022
- Li Al notebook · 7f7e6f86
  Sudarsan Surendralal authored 2 years ago
  
  7f7e6f86
- Helper functions in file · e7e83793
  Sudarsan Surendralal authored 2 years ago
  
  e7e83793
Apr 13, 2022
- Added instructions how to setup pyiron environment, a first example of · 4ac2a2b4
  Matous Mrovec authored 2 years ago
  
  validation ntbk, and a ntbk how to run KIM Li-Al MEAM potential in pyiron.
  4ac2a2b4
- Added directory for validation of potentials · 2e7de695
  Matous Mrovec authored 2 years ago
  
  2e7de695