Conclusion

There is a lot packed into the example workflow, so don’t worry if you don’t understand it all at first.

To implement your own simulation model, start by modifying state_point.rs, model.rs, and populate_workspace.py to implement your. You may need to modify simulate.rs or action.rs not at all or at least only minimally at first.

Note

Remember: Start your own Git repository history from scratch. Don’t clone the repository. Make a new one from the template or download the files directly.

If you have any questions, please check the hoomd-rs discussion board first. If no one else has asked the same question, the hoomd-rs developers would be happy to answer yours. PLEASE include a fully working example of any code you have questions about (post it as a gist or link to your GitHub repository).

Resources:

• hoomd-workflow repository
• Create a GitHub repository from the template
• Download the template