Add option to allow success on reaching maxiter

[jchodera]

For some QCFractal OptimizationDataset workflows, it would be very useful to take at most K optimization steps and still return successful completion. For example, when starting from snapshots sampled from an MM surrogate potential at 300K, the initial QM energies may be too high, but a few steps of optimization is sufficient to explore the thermodynamically relevant energy surface in the vicinity of the starting geometry.

QCFractal / QCEngine appears to call geomeTRIC in a manner that passes in a JSON document via run_json. Options such as whether to use tric or cart appear to be passed this way. If an option such as success_on_maxiter could be passed to signal that reaching maxiter should still successfully return completion of the optimization trajectory, this use case could easily be supported.

[leeping]

This has been implemented and merged into master now. It should be part of release v1.1. Thanks for your patience. :)

[jchodera]

Thank you!