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SimlifyConfig should be moved to the config/core.py and be the parent container for all other configs.
Any functions that provide data about the atomistic system are getting moved to atomea. For example, get_com (but not center_structure), get_box_lengths (but not rotate_positions), etc. Things that manipulate the system to get ready for preparation are in simlify.
We need to rename the simulation directory to better reflect what we are doing here. We voted for workflows. Some of the structure functions would be moved under workflows.
SimlifyConfigshould be moved to theconfig/core.pyand be the parent container for all other configs.get_com(but notcenter_structure),get_box_lengths(but notrotate_positions), etc. Things that manipulate the system to get ready for preparation are in simlify.simulationdirectory to better reflect what we are doing here. We voted forworkflows. Some of thestructurefunctions would be moved underworkflows.