Skip to content

Latest commit

 

History

12 Commits

Folders and files

NameName
Last commit message
Last commit date
 
 
 
 
 
 
 
 

Repository files navigation

structdiff

Find too distorted structures after geometry optimization with VASP

Calculates:

  • Steinhardt Order Parameters (averaged or not)
    • System-wide normalization (order option) is evaluated too
  • Minkowski Structure Metrics (Steinhardt with weighted option enabled and Voronoi neighbours)

About

Find too distorted structures after optimization

Resources

Stars

0 stars

Watchers

1 watching

Forks

Releases

Packages

Contributors

Languages