Code

Add coarse-graining example#98

Code

Merged

lubbersnick merged 4 commits intolanl:developmentlanl/hippynn:developmentfrom shinkle-lanl:cg_exampleshinkle-lanl/hippynn:cg_exampleCopy head branch name to clipboardSep 9, 2024

+351-7

Commits

Commits on Sep 3, 2024

• first draft

  shinkle-lanl

  committed
  85a91a6

  Copy full SHA for 85a91a6

• track unwrapped and wrapped positions in MD code when cell is present, fix typo

  shinkle-lanl

  committed
  72ce274

  Copy full SHA for 72ce274

• remove unused imports, update md length

  shinkle-lanl

  committed
  e75549c

  Copy full SHA for e75549c

Commits on Sep 9, 2024

• add link to data on Zenodo, change dataset filename

  shinkle-lanl

  committed
  f2f86e4

  Copy full SHA for f2f86e4