MDANSE python script generation fixes and updates.#280

Merged

MBartkowiakSTFC merged 9 commits intoprotosfrom chi/mdanse-script-update

Jan 22, 2024

+237-229

Commits on Jan 19, 2024

fixed the mdanse script for job script generation with default parameters. Reformatted the job script and added comments for each parameter to give some additional information for job setup.
ChiCheng45
committed
updated convertors outputfile label and changed HDFtrajectoryconfigurator so that it has a default label, refactored the configurable and iconfigurator
ChiCheng45
committed
reformatted files with black
ChiCheng45
committed