Expose trajectory protocol for optimization datasets #194
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We set the default trajectory protocol for optimizations to be `initial_and_final` in order to conserve space where possible. Choosing another option is an opt-in choice for the submitter.
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Going to wait on this for the QCFractal refactor, as there are literally two places where protocols should go on an optimization entry, and it is not clear right now which one to use. We could try just attaching to both, but this may prove to be a temporary solution anyway until the refactor is out. |
We want to remove `optimization_trajectory` from QCSpec next; doesn't belong there.
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Description
We set the default trajectory protocol for optimizations to be
initial_and_finalin order to conserve space where possible.Choosing another option is an opt-in choice for the submitter.
Todo
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