MatKie / MatKie/mkutils

Add Reference Writing and Header writing

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@MatKie is already working on this.

Since Aug 6, 2020.

enhancement
Dominant language
Jupyter Notebook
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Description

Add Reference writing to FFWriter in gromacs_writer. Feasible solution:

Add Dictionary with references either {number: Ref} or {ID: Ref} as attribute (no getter setter needed as no one is using it anyway). Then do another arg or kwarg in the add_atomtype, add_crossint dicts and update the writing methods.

For the header do a function writing out all the references and other header information.

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