refactor HTF softcore_LJ
to understand literals instead of bools
#42
Labels
enhancement
New feature or request
softcore_LJ
to understand literals instead of bools
#42
We have been using
Literal['gapsys', 'beutler']
in ourAlchemicalSettings
object. We probably want to handle this types directly in theHybridTopologyFactory
class as well, instead of having to do things likeIn the end we probably want to have an HTF object that is extensible for using different softcore potential functions in a friendly intuitive way.
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