pytim
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trigger checks
Please make sure that your pull request satisfies the following requirements:
If you have fixed a bug
- [ ] Explain the fix in the pull request, and add a minimal code that reproduces the bug & the fix
- [ ] Add the minimal code to the docstring tests if possible
If you have written a new method in one of the available modules
- [ ] Document it with a docstring
- [ ] Add a short, deterministic test in the docstring
- [ ] Explain briefly what the patch is about in the pull request
"Big" Pull requests
- [ ] Submit one commit per issue/change if possible.
- [ ] There can be many commits in a pull request, but please try to group them thematically (e.g., avoid
git commit -a) - [ ] In case you have many small commits, you can always rebase them in your tree before submitting the pull request.
- [ ] Pull requests that include merge commits won't be in general accepted
- [ ] If you make a pull request from your master branch, you do it at your own risk (see also the point above)
If you have implemented a new module
- [ ] All main methods should be documented
- [ ] Tests should be added to the docstrings
- [ ] The module works with as many different input file formats as possible
- [ ] Interfacial atoms (if calculated) are marked as such, similarly to the other modules
- [ ] The module does not change the configuration (positions, velocities,...) as loaded by MDAnalysis
- [ ]
__init__()callspytim.PatchTrajectory - [ ] you have prepared a section to be added to the online manual
- [ ] you have prepared one or more sample jupyter notebooks
- [ ] you have added one or more minimal example python scripts to be added to
pytim/examples/