Jaron T. Krogel

QMCPACK could be extended to understand source and destination type paths in addition to filenames. In this case, the user could provide a destination path (to an existing directory) for...

By default, each group should use a different seed (current operation satisfies this already, should remain true even if user provides a seed as this is the intended production use)....

The use cases are either twist averaging or an ensemble of similar molecules. In either production case, a different seed per process is desired in production runs (priority). Reproducibility with...

I strongly prefer we follow the patter of all other non-driver sections of the input file: ``` ... ... ... ... ... ... ... ... ... ... ``` Make things...

Interesting. There aren't many PR's between #1021 and #1046 that could affect this. Have you narrowed down to the culprit PR (via bisection search, etc)?

I will look into this soon. I suspect it may be a real vs. complex issue. The real orbitals are not orthogonal in general and might lead to the pattern...

If the set of orbitals is orthogonal within QMCPACK, then everything should work fine. I would prefer to require orthogonal orbitals within QMCPACK overall.

@Paul-St-Young have you tried with the complex build of QMCPACK?

Also, would you report the output with ` yes `?

But VMC w/o a Jastrow does not yield the identity in the same channel as the selected basis?