OpenMMSolutionGen.get_input_set doc string

orionarcher / pymatgen-io-openmm

A Pymatgen IO module for setting up OpenMM simulations.

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Closed xperrylinn closed 1 year ago

xperrylinn commented 1 year ago

Summary of changes:

Added numpy style doc string to OpenMMSolutionGen.get_input_set. Intellij (and PyCharm) allow you to set a default doc string style for generating doc string scaffolds.
Added *.iml to .gitignore, small re-org of contents by adding headings

xperrylinn commented 1 year ago

Hi @orionarcher, could I get a review on this at your leisure?

orionarcher commented 1 year ago

I added you as a collaborator on the repo btw