Oskar Weser

Made changes in the code to make it PEP8 compatible, changed .gitignore to ignore eggfiles from python build and Replaced creation of strings via overloaded + operator with the format...

conda packaging

2

I would like to package your library into the anaconda package manager. I will write the conda recipes and make a pull request to your repo. The only question is...

New zenodo entry?

1

I just wanted to cite FORD and realized that the only Zenodo entry (https://zenodo.org/records/1422473) is from 2018 and has Christopher MacMackin as sole author. Since especially you @ZedThree put in...

ENH: Improved suggestions for environments

1

Currently the additionalInserts for environments are specified like this: ``` latex: figure: text: 'figure' additionalInsert: '\\caption{title}' ``` It would be great to have similar behaviour as the self defined snippets...

- [ ] implement a diff_Zmat for representing the difference between Z-matrices, similar to a time-delta. - [ ] Make CleanDihedralOrientation's default true - [ ] Get rid of the...

Stress it more that small changes for Z-matrices are preferred. Give examples for the `CleanDihedralOrientation` context manager Rewrite the interpolation examples to use the `cc.interpolate` function.

From time to time check for superfluos `type ignore` with the ` warn_unused_ignores = True` option of mypy.

especially with `typing_extension.Self` we could achieve a lot. - [ ] add namedtuple to `get_inertia`

I can't append the jupyter notebook, but it is the `dummy_insertion.ipynb`

Add parallelization where possible

1

It is now super easy with numba `njit(parallel=True)` and `prange` to do parallel execution. Do this where it makes sense and performance is an issue.