Ring-Polymer-Molecular-Dynamics-in-Python-and-cpp. In this project, we give python and C++ codes for the Ring Polymer Molecular Dynamics (RMPD) to calculate the time correlation function(TCF) of coordinate <q(0)q(t)>. Two kinds of thermostat have been tested.

github.com/ks838/Ring-Polymer-Molecular-Dynamics-in-Python-and-cpp
by @ks838

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