Paul R. C. Kent
Paul R. C. Kent
Checking on the status of this. It still has [WIP] but does anything still need to be done besides solving the conflict on qmcpack.py?
Ping. Can you remove the wip or is another update needed?
After the meeting this week I'll give this a by-hand test drive -- we don't run these examples in CI (yet). It looks like any recent version of RMG should...
I built a fresh QMCPACK + NEXUS + RMG environment, but could not get the example workflow to complete. Please can you recheck? It looks like there might be a...
Thanks for putting this down. A large amount of work is described here, some of which could be split up to help with the staging. e.g. If all-electron moves are...
@kgasperich Are you clear on the next steps?
Test this please
I agree with this. However, besides use in population control, unfortunately multiplicity appears to have been hijacked in CSVMC for other purposes, so there is some disentangling to be done....
@kayahans What have you found successful in your 2D runs?
The NaN is in the scalar.data but the NaN detector in the wavefunction components was not tripped. => There is most likely a problem with just the MPC computation. ```...