Skip to content

Latest commit

 

History

History
9 lines (8 loc) · 259 Bytes

README.md

File metadata and controls

9 lines (8 loc) · 259 Bytes

Provides useful functionality to:

  • query ASE Atoms lists
  • identify molecules in ASE Atoms lists
  • create Volume-Scans
  • split properties into intra-/inter-
  • split forces into trans-/rot-/vib-
  • plot MD trajectories etc

Experimental, use with caution!