Analysis Modules

Calculate properties of interest from configurations

Define and perform a custom analysis routine

Calculate distance distributions and angle maps for A···B···C

Calculate the average atomic coordinates for a particular species

Calculate distance distribution and angle map between oriented sites A and B for A···B···C

Calculate coordination numbers from an existing RDF

Calculate distance distribution and angle map for A–B···C

Calculate a site-site radial distribution function

Calculate a three-dimensional spatial distribution function