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BespokeFit interface
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Could we make it easier for users of the CLI to use bespoke force fields by extending the CLI to use a local bespoke force field in the protocol?
I think being able to manually pass a serialized FF would be great.
It might be a good idea to widen the scope here - i.e. "passing additional input data" to the CLI could be a great long term goal. I don't have anything specific here rather an unspecific "it would be great if Protocols could be passed extra input files they might need".
in group conversation, we discussed that this would be a good option for a cli plug-in.