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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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Added PairEnergy Analyzer for Tools Namespace #31

Closed polymer1 closed 9 years ago

polymer1 commented 9 years ago

This analyzer uses the cell list to loop over pairs of atoms and calculate the pair energy. Until an Interaction class is made for this namespace, this only uses LJPair interactions. Also it does not take into account masks so it calculates energies as if there were a MaskNone policy.