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mlund / faunus

A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
https://faunus.readthedocs.io
MIT License
66 stars 33 forks source link

Add analysis to save penalty function to disk #407

Closed mlund closed 2 years ago

mlund commented 2 years ago

This can save the constructed energy function from Energy::Penalty to disk at specified intervals. Ping @vaspelin.