QMCPACK / QMCPACK/qmcpack

How to Optimize Orbitals and CI Coefficients

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Description

Hello,

I want to optimize my orbitals along with CI coefficients and the Jastrow factor produce by GAMESS. My XML file has two `` entries—does this mean I need to add the following twice?
```





```

Also, how should `rotateSPO` be set for the determinant part if I also want to optimize CI coefficients? I also want to keep cusp corrections—is that possible?

I’ve attached my original GAMESS file converted via the converter. Any guidance would be greatly appreciated, as I couldn’t find detailed tutorials online.

Thank you for your help

[cas_6_6.original.wfj.xml](https://github.com/user-attachments/files/22691742/cas_6_6.original.wfj.xml)

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