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Paul Kent 2021-12-11 16:26:06 -05:00
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docs/additional_tools.rst
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@ -671,7 +671,7 @@ Periodic boundary conditions with Gaussian orbitals from PySCF is fully supporte
convert4qmc -gamess Myrun.out -hdf5
This option is only used/useful with the gamess code as it is the onlycode not providing an HDF5 output
This option is only used/useful with the gamess code as it is the only code not providing an HDF5 output
The result will create QMCPACK input files but will also store all key data in the HDF5 format.
- **Mixing orbitals and multideterminants**