Error with GAMESS CI wavefunctions (convert4qmc and QMC energies)
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Description
Hello,
I am trying to export a CI calculation done with GAMESS. Following the manual, I ran a job using `SCFTYP=NONE`, `CITYP=GUGA`, and `PRTMO=.T.`. The GAMESS job converges smoothly.
I then exported the wavefunction using:
`convert4qmc -gamess ci.out -ci ci.out -addCusp -production -readInitialGuess 510`
However, when computing the energy without a Jastrow factor (to evaluate the cusp correction), I obtain an energy of
−230.762128 ± 0.017840,
whereas the GAMESS output reports
`CI EIGENSTATE 1 TOTAL ENERGY = −230.8620665156`
This discrepancy seems too large to be expected. Am I missing something in the export or setup?
I have attached my GAMESS output and the Cusp.xml for reference. Thank for your help
[ci.out.txt](https://github.com/user-attachments/files/25156669/ci.out.txt)
[Cusp.xml](https://github.com/user-attachments/files/25156745/Cusp.xml)
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