MCMCSimulationLib

MCMCSimulationLib is a C++ library that simplifies setting up Markov Chain Monte Carlo algorithms. It implements the following basic features:

  • Markov chain Monte Carlo simulations for arbitrary models/theories/systems in C++

  • A modular structure allowing for a brute force and simple implementation of your MCMC system

  • Computation of expectation values, autocorrelation times and the time the system needs to be in equilibrium

  • Storing and tracking of simulation parameters and results based on configuration files and text files

  • A sophisticated evaluation and processing of simulation results in Python, in particular, also with respect to a simple integration of the simulation outcomes in the Deep Learning framework PyTorch

Further, it simplifies setting up and running simulations by providing support for:

  • A Python wrapper for executing and evaluating simulations solely from Python

  • A bash console/terminal interface allowing for running and preparing simulations based on configuration files

  • Submitting and preparing simulations for an execution on a CPU/GPU cluster

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