MoCaChem: Monte Carlo Chemical Potential Estimation

MoCaChem is a program that uses the Monte Carlo method to estimate the chemical potential of a fluid governed by Lennard-Jones potential interactions. By simulating particle fluctuations in defined sub-regions of the system's volume, it accurately calculates the thermodynamic properties of the system, providing insight into phase equilibria and molecular dynamics.

Building the Code

This project uses xmake as its build system. If you do not have xmake installed take a look at the installation section in the guide.

To build the project, simply run:

xmake build

Running the Program

Once the code is built, you can run the compiled program with:

xmake run

Alternatively, if you want to pass arguments to the program, you can use:

xmake run MoCaChem [arguments]

For a list of available [arguments] run xmake run MoCaChem --help.

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DISCLAMER: This project is still in development and thus neither feature complete nor tested for correctness. If you are interested there will soon be a alpha release.