Thanks for considering to contribute to the OMChemSim Simulator.
Contributing can be done by either filing an issue or by contributing code.
When filing an issue, please include all information necessary to reproduce, and state what package is affected.
The workflow for contributing code depends on whether you are a collaborator with push rights, or an outside collaborator.
The workflow for outside collaborators is usually as follows:
- Fork the repository to your account by using the
Forkbutton. - Clone the forked repository to your computer.
- Create a new topic branch and give it a meaningful name, like, e.g.,
issue22-fix-formula. - Do your code changes and commit them, one change per commit. Single commits can be copied to other branches. Multiple commits can be squashed into one, but splitting is difficult.
- Once you are done, push your branch to your fork.
- Go to the upstream OMChemSim repository and submit a Pull Request (PR).
- If the PR is related to a certain issue, reference it by its number like this: #22.
- Once a pull request is opened, you can discuss and review the potential changes with collaborators and add follow-up commits before the changes are merged into the repository.
- Update your branch with the requested changes. If necessary, merge the latest master into your branch and solve all merge conflicts in your branch.