Closed yunhuige closed 6 years ago
So far, almost everything about compute_sse and read_data go to separate restraint functions. The only one left is PF. One more thing, do we want to move those compute reference potential function to sampling class file?
Update: most functions were moved to child restraint class. Compute reference potentials functions are still in Restraint file.
The restraint class was completely re-written. I think it's time to close this issue for now.
try to remove or reassign functions in Structure.py