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dmorse / simpatico

Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
GNU General Public License v3.0
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Cluster analyzer #46

Closed jmysona closed 6 years ago

jmysona commented 6 years ago

Fixed so cluster class now performs COM and Rg calculations

dmorse commented 6 years ago

I'm merging the pull request, but will change the name of Cluster::clusterCOM to Cluster::CenterOfMass myself. Please pull merged code and modify any code that uses this function accordingly.