If you are interested in contributing to pylj. Please feel free; fork the code and go wild to your hearts content.
If you want to find a good issue to get you in the door as a contributor, check out the issues marked as good first issue in the GitHub issue tracker.
- We are trying to use a modular system within pylj, where there is the overarching
utilmodule that contains the
Systemclass which holds all system information. Examples of modules that use the
Systemclass are the
mcmodule that facilite molecular dynamics and Monte-Carlo simulation respectively.
- All visuallisation should be done in the
samplemodule, the structuring of this module should be clear and generally the only variable required should be the
pyljuses black formatted code, please run your changes through the black formatter before offering a pull request.
- If you want any help implementing your idea, please feel free to discuss it on our gitter channel. We prefer this method of communication over email, however if you are morally or structurally aposed to gitter feel free to email arm61.
- If you would like to offer a pull request, we will try our best to assess and merge them as appropriate in a timely manner.