mlund / faunus

A Framework for Metropolis Monte Carlo Simulation of Molecular Systems

https://faunus.readthedocs.io

MIT License

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Tempering update #454

Closed IVinterbladh closed 3 months ago

IVinterbladh commented 3 months ago

Description

Changed code to put exchange statistics for tempering in a separate dat file. Updated example notebook on tempering exchange statistics. Updated documentation on parallel tempering so it corresponds to the latest changes