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update manual entry for convert4qmc with DIRAC
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camelto2 committed Oct 4, 2021
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Expand Up @@ -691,7 +691,7 @@ Periodic boundary conditions with Gaussian orbitals from PySCF is fully supporte

- **DIRAC**

QMCPACK can use the output of DIRAC to run spin-orbit calculations using single-particle spinor wave functions. Currently, the converter will only generate a single-determinant wave function. Full multideterminant support will be added shortly.
QMCPACK can use the output of DIRAC to run spin-orbit calculations using single-particle spinor wave functions for single-determinant calculations (DFT or closed-shell Dirac HF) or multideterminant complete open-shell configuration interaction (COSCI) wavefunctions. In the case of COSCI, the desired ground or excited state can be requested with ``-TargetState x``.

.. _pw2qmcpack:

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