Code

PR: Ovito visualisation#7

Code

Merged

sblackburn86 merged 10 commits intomainmila-iqia/diffusion_for_multi_scale_molecular_dynamics:mainfrom ovito_visualisationmila-iqia/diffusion_for_multi_scale_molecular_dynamics:ovito_visualisationCopy head branch name to clipboardMar 21, 2024

+208,672-15

Commits

Commits on Mar 15, 2024

• coords should be cartesian

  sblackburn-mila

  committed
  2a66f0a

  Copy full SHA for 2a66f0a

• script to convert output file to ovito

  sblackburn-mila

  committed
  c1eead5

  Copy full SHA for c1eead5

• adding readme for ovito

  sblackburn-mila

  committed
  fefb4ab

  Copy full SHA for fefb4ab

• missing blank lines

  sblackburn-mila

  committed
  fc5d738

  Copy full SHA for fc5d738

• isort

  sblackburn-mila

  committed
  64470d3

  Copy full SHA for 64470d3

• fix from reduced to cartesian changes expected output - fixed unit test to reflect desired behavior

  sblackburn-mila

  committed
  765d884

  Copy full SHA for 765d884

• pytype fix

  sblackburn-mila

  committed
  5c926ae

  Copy full SHA for 5c926ae

Commits on Mar 19, 2024

• code review part 1 - still need to make entry point + example for train_mtp

  sblackburn-mila

  committed
  c2d3d94

  Copy full SHA for c2d3d94

Commits on Mar 20, 2024

• entry point for train mtp

  sblackburn-mila

  committed
  e88b130

  Copy full SHA for e88b130

• extra blank line

  sblackburn-mila

  committed
  063ea6a

  Copy full SHA for 063ea6a