Bad elec-elec values for offload builds when energy density activated. #5839
Description
QMCPACK built with openmp offload and run in batched mode when the energy density operator is activated, elec-elec interactions are not correctly updated. This resulted in bad values in the scalar.dat output as well as the stat.h5
The issue here turns out to be in CoulombPBCAA in the QMCHamiltonian model. This is at the heart of #5758 and that same issue occurs for spline based wavefunctions as well.
To Reproduce
see #5758 but run example like diamond 1x1x1.
Expected behavior
No affect on elec-elec full system energy values due to enabling an estimator.
Correct per particle energies for elec-elec interactions.
System:
- any
Additional context
Add any other context about the problem here.