QMCPACK / QMCPACK/qmcpack

Estimators Requiring Per Particle values from Hamiltonian Operators

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#4,029 0 comments 0 reactions 1 assignee Claimed by @PDoakORNL View on GitHub
ECP enhancement in progress
Dominant language
C++
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403
Forks
154
Avg merge
1d 12h
Merged PRs (30d)
82

Description

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. Memory footprints should be well controlled and implementation flexibility should be in line with other redesigned estimators.

**Describe alternatives you've considered**
Redesign trace manager and porting it to be a crowd scope object but due to the memory and computational load as well as the complexity and scope of runtime functionality far beyond what is required.

**Additional context**
Add any other context or screenshots about the feature request here.

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