Ye Luo

@prckent For Illka's reproducer, is there a github issue or where can I get the reproducer?

It seems that the `modified XML` is already supported by QMCPACK. If this the case, the converter needs to fixed to keep the original symmetry. During optimization, only the `coeff`...

I guess your "modified xml" correspond to "One attempted workaround involved combining degenerate CSFs into a single CSF with multiple determinants. However, this manual modification led to noticeably different total...

Does this way work? ``` ``` I would expect the optimization only touching the `coeff` at `csf` not `det`

The overall coefficient of a determinant is the product of `coeff` on `csf` line and `det` https://github.com/QMCPACK/qmcpack/blob/a005bd7648639893b2e1559127206c1f42cdf175/src/QMCWaveFunctions/Fermion/MultiSlaterDetTableMethod.cpp#L787 here is how the derivatives `dlogpsi` of `csf` with respect to `coeffs` of...

I don't feel the necessity to introduce an option for both converter and qmcpack If I understand correctly, in #5581, the input style of "Unmodified xml" indicates degenerated=false and your...

How does the multideterminant xml node look like with your change when degenerated=yes?

Could you add converter tests under for both cases?

With or without degeneracy. The total determinant count should remain the same. In the case of 6_6 case, I saw 124 dets in both converter output. However, this is not...

> @ye-luo If I remove the determinant part and update the manual to state that the degeneracy of the CI works only for CSFs, would that help to merge this...