ACForce Estimator has Spikes in Trace of Force
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@rcclay is already working on this.
Since May 8, 2019.
bug
force
- Dominant language
- C++
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Description
For C2 dimer in openBC's (determinant only wavefunction), there are observed spikes in the trace of the "Hellman-Feynman" force term from the ACForce estimator. There are no observed spikes in an alternate code path. While such spikes are expected for other terms in the estimator, there shouldn't be any in the Hellman-Feynman term.
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