As things stand, if the use of smartopt() results in multiple optimizations, only the files from the final optimization will be present at the end of the procedure as the other files are cleared after each "failed" step.
This is not so great for reproducibility and record-keeping, so the files from each ohess run should be moved into a subdirectory (one per opt).
As things stand, if the use of
smartopt()results in multiple optimizations, only the files from the final optimization will be present at the end of the procedure as the other files are cleared after each "failed" step.This is not so great for reproducibility and record-keeping, so the files from each
ohessrun should be moved into a subdirectory (one per opt).