How to enable restart/resume option. Complete documentation? #387
Description
Hello, community,
I'm building an automation process around QUICK and attempting to address some execution edge cases. Due to the run-time configuration in the container, long simulations could be interrupted for execution environment reasons. The output file is partially generated and may contain the most recent optimized xyz geometry.
While it's possible to use the last successful step xyz geometry as a "restart" point to resume the simulation, I found some code references that enable this functionality via execution parameters, although, I was unable to identify those yet. Additionally, I can see these lines in a complete output file confirming this is possible without tricks.
No restart information is written
This run has not been restarted.
Could you please point me in the right direction? Also, after looking at the code I have a feeling there's more to the documentation that is published here https://quick-docs.readthedocs.io/en/latest/user-manual.html, are there any other resources shared elsewhere?
Many thanks in advance!