Usage of virtual sites and better compatibility with MARTINI 3 #8
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Add gititnore and codeowners
Cleanup02
* Create styling module * Use f strings * Use indent size 4 * Return objects after forward fill * Remove folder
Add exceptions
…types_mass) that must be used in case there is no definition of the atom mass in the itp file of the molecule we want to optimize via fetch_cg_mass_itp(ns)
…orrectly make CG traj whole during optimization runs analysis + Fix dihedrals handling
Added handling of virtual sites + Fixed an issue in BI
giovannidoni
approved these changes
Oct 4, 2020
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So in principle this is ready and well tested by Luca and me. This allows to use all virtual sites functions, except vs2 func 2, but we have enough to resolve issue #1.