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Add ghostly_kwargs option and detect systems already modified by ghostly - #264
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SOMD2 always applies ghost atom modifications with the default ghostly options. This adds a way to tune them, and guards against applying the modifications twice.
ghostly_kwargsoption that passes options toghostly.modify. It takes a dictionary from Python or a YAML config, orkey=valuepairs on the command line, e.g.--ghostly-kwargs k_soft=3 stiffen_rotamers=true. Values are parsed as YAML, and keys and value types are checked against the signature ofghostly.modify, so new ghostly options need no changes here.ghost_modificationsis disabled, which uses the existing modifications, orforce=Trueis passed inghostly_kwargs, which applies new modifications on top of them.ghostly_kwargsis set but ghost modifications aren't applied.Requires OpenBioSim/ghostly#20.