search

dmorse / simpatico

Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
GNU General Public License v3.0
31 stars 17 forks source link

Updated cluster analyzer #44

Closed jmysona closed 7 years ago

jmysona commented 7 years ago

Currently calculates each cluster radius of gyration and COM and outputs it at each time step. Currently the Rg and COM are calculated as part of the analyzer. May move these to the cluster class later.