Peter Doak
Peter Doak
## Proposed changes This is another MS6.9 PR. Now adding per particle energy reporting to the NonLocalECPotential. I removed the makeClone method for NonLocalECPComponent which makes no sense since it...
It seems like the only place a fair amount of the math used in our implementations is documented is in the actual source. But most of it does not render...
QMCDriverInput, VMCDriverInput, DMCDriverInput need another pass to include lesson learned working on the input sections for the batched version Estimators. They are obvious first input classes devs will encounter and...
**Is your feature request related to a problem? Please describe.** Whether a run is done with real or complex value types and for that matter full or mixed precision should...
This is for ECP MS6.9 **Describe the solution you'd like** A flexible performant and crowd concurrency oriented per particle hamiltonian value connection between estimators requiring such and the hamiltonian operators....
There are too many unpredictable behaviors in estimator input parsing . Here is a list that I intend to remove and what if any behavior will replace them. --- ###...
Estimators tags should be enclosed in containing node ```xml 10 10 10 0.0 0.0 0.0 3.37316115 3.37316115 0.00000000 0.00000000 3.37316115 3.37316115 3.37316115 0.00000000 3.37316115 ... ``` This would allow EstimatorManagerInput...
But obviously aren't to be deleted #1551 #1531 **To Reproduce** Create bug with drift modifiers, try and figure out how they are actually supposed to work and what legal input...
**Describe the bug** BSplineSet.makeClone() -> SplineR2R Copy Constructor copies SplineInst shared ptr Then later we call an SPOSet method that modifies SplineInst such as applyRotation. This actually modifies the state...
While I thought we did currently we don't specify a specific format for accessors. An exception for data member accessors is useful, it is useful for both searching the code...