Commits · 6a4024d1261cd5f433f5742dd426d8f7f19a425e · Potentials Workshop 2022 / workshop_preparation · GitLab

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May 06, 2022
- add tm calcs · 6a4024d1
  srmnitc authored 2 years ago
  
  6a4024d1
May 05, 2022
- Merge branch 'cleanup' into 'main' · e4f154df
  Sarath Radhakrishnan Menon authored 2 years ago
  
  More changes and Li-Al example See merge request !1
  e4f154df
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
- Adding Niklas' potential · 48550145
  Sudarsan Surendralal authored 2 years ago
  
  48550145
- Adding .gitignore · 7f1b840c
  Sudarsan Surendralal authored 2 years ago
  
  7f1b840c
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
Mar 25, 2022
- Initial commit · 6d1c45b3
  Sarath Radhakrishnan Menon authored 2 years ago
  
  6d1c45b3