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xtp_basisset - Part of the VOTCA package

Authors

       Written and maintained by the VOTCA Development Team <devs@votca.org>

Description

       Creates votca xml basissetfiles from NWCHEM basissetfiles

Name

xtp_basisset - Part of the VOTCA package

Options

       options:

         -h, --help                          show this help message and exit
         -f, --input INPUT                   NWchem file containing the basisset or
                                             Turbomole folder with element names.
         -o, --outputvotca OUTPUTFILE        Path of votca outputfile
         -t, --turbomolebasisset TURBOBASIS  For turbomole specify the basisset that
                                             is supposed to be extracted from Files,
                                             for auxbasis sets the basisset the aux
                                             basisset is supposed to be used for.

Synopsis

xtp_basisset [OPTIONS]

       xtp_basisset [--help]

See Also