search

lanl / hippynn

python library for atomistic machine learning
https://lanl.github.io/hippynn/
Other
59 stars 22 forks source link

Fix settings and low distance warning #18

Closed tautomer closed 1 year ago

tautomer commented 1 year ago

Some diffs are because of black...

Apart from that, here are the changes.

  1. Local rc file was incorrectly parsed.
  2. Documentation on the rc files is now consistent with the code.
  3. Incorrect error message in array padding.
  4. Disable the low distance warning from sensitivity plotting.
  5. Update the change log (including the changes in the restart part).
lubbersnick commented 1 year ago

Thank you, looks good