How to Contribute

Contributing to GOMC

This page will explain how you can start contributing to GOMC. Feel free to head to our issues page and let us if you want to work on any of our issues. If you want to add a new feature, please create a new issue and we can help you get started and help you how you can approach that problem.

Prerequisites

In order to start, you will need to have the following requirements:

• A C++ compiler that supports the C++14 standard.
• CMake (version >= 3.8, cmake --version to find out)
• CUDA Toolkit and a GPU that supports CUDA, if you are working on GPU implementation
• Git

Build and run

To build GOMC we have prepared metamake.sh which will create a bin directory and then compiles the code for you. To compile simply run

$ ./metamake.sh

To run our code you can use one of our examples which can be found here. This example repository contain different ensembles, so please make sure you run the correct executable.

GCMC           => GOMC_<CPU|GPU>_GCMC
NVT            => GOMC_<CPU|GPU>_NVT
NPT            => GOMC_<CPU|GPU>_NPT
<NPT|NVT>_GEMC => GOMC_<CPU|GPU>_GEMC

Testing

To test our code, after the compilation is finished, please run ./bin/GOMC_Test.