More application testing energy density estimator#6011
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PDoakORNL wants to merge 3 commits into
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These failing checks are all failures on the CI side. I think #6016 may address one but something with the coverage is also broken. |
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Proposed changes
Additional Testing of Energy Density Estimator
Added:
Homogenous Electron Gas tests for batched vmc and dmc.
The energy density should be approximately homogenous.
The energy should be the same whether the coulomb AA and other hamiltonian operators should produce the same results whether batched per particle eval is taken or not. It is taken when the energy density estimator is on
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
osx dev laptop
Checklist