Mark Dewing

Yes, I am willing to look into it. I assume you still need to walk the native stack at each sample to get to the Python stacks ? Are you...

There is a flag, `no`, that should turn off generating the link to the vp.h5 file in the opt.xml file. See more in this PR: #3640

The optimal number of walkers per crowd could be different for the optimizer cost function and VMC, since the operations are different. However, I suspect the VMC value will work...

Some of the extra memory comes from QMCDriverNew? (gets allocated when QMCDriverNew::startup is called). I don't think much of that is used by the optimizer - avoiding the call to...

One solution for memory is to delete the vmcEngine after samples are generated. That seems like it would free up the memory from the crowds created by that driver. The...

Could we get a count of how many of each individual check in each category? `grep bugprone make_yesAFQMC.txt | awk --field-separator '[' '{print $2}' | sort | uniq -c` Running...

* `opt_num_crowds` is an input parameter. If not set (or set to zero), it is set to the number of threads, `Concurrency::maxCapacity();`, same as the other batched drivers. * `opt_crowd_size`...

Is there a plan to get rid of checkInVariables and resetParameters in favor of using only checkInVariablesExclusive and resetParametersExclusive? (In other words, is having both functions in the API an...

Eventually I would like an API that removes the need to call checkOutVariables to propagate the global-to-local index mapping.

Another option is to change the function so the constant isn't necessary, but that would be a more involved change.