Ye Luo

Results 358 comments of Ye Luo

Could you make a new PR by cherry-picking `ConstantSPOSet`, `CompositeSPOSet` and `DummySPOSetWithMW` changes. `DummySPOSetWithoutMW` was removed earlier. Basically leaving out `RotatedSPO`.

This PR is stalled due to the need of clean up `ParticleSet`, it should not carry wavefunction related objects like `P.G/P.L`.

Is it possible to move this optimization to NLPP batched code path where NLPP ratios of dets (without Jastrow) are batched? I mean specialize https://github.com/QMCPACK/qmcpack/blob/a82117fe3bc030e90ea564f2fae407c76e0ef3b9/src/QMCWaveFunctions/SPOSet.h#L205

> (Hadn't noticed the "Unchanged files with check annotations" beta feature before. Would be good to work the matrix of options in subsequent PRs to get coverage on these features...

> > The saving comes from the removal of numerical integration over spinors. Excellent! However, replying on TWFFastDerivWrapper requires SO being aware of the fine structure of TWF in the...

Trim the first two rows to compare and also do the last row?