Fabian Zills

I like the idea, how could this look like? We could have something like this, where we summarize all possible profiles in a module and raise an error if the...

@laigner might have also some opinion on this topic. I don't excactly know how poetry and conda will interface but I'd assume it should work the same as with setuptools?...

I think it is worthwhile for a few reasons: - I like a single file over multiples and therefore, supporting the poetry project - maintaining requirements in a single file...

One more benefit of poetry is that it automatically installs dev requirements when making a dev installation via `poetry install` and does not require `pip install -r dev-requirements.txt`

@SamTov If you want to make yourself familiar check out https://github.com/zincware/MDSuite/tree/528-use-poetry-for-development It only took 15 mins and I wanted to test something out anyways.

We should do this when / if moving over to poetry

I thought the units would be fixed by #334 @SamTov

> That can certainly happen in some simulations. There is a possible approach to this I would like to discuss at the general meeting. If you have a good idea...

Using https://github.com/jendrikseipp/vulture I found (sorry for the long path): ``` C:\Users\fabia\PycharmProjects\MDSuite\mdsuite\calculators\angular_distribution_function.py:212: unused attribute '_batch_size' (60% confidence) C:\Users\fabia\PycharmProjects\MDSuite\mdsuite\calculators\calculator.py:46: unused attribute 'monitor_interval' (60% confidence) C:\Users\fabia\PycharmProjects\MDSuite\mdsuite\calculators\coordination_number_calculation.py:111: unused attribute 'file_to_study' (60% confidence) C:\Users\fabia\PycharmProjects\MDSuite\mdsuite\calculators\coordination_number_calculation.py:121: unused...

> Funnily the constant 60% confident makes me less confident in all of them 😄 I guess most of the lines mentioned here aren't unused code. But it might still...