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XTP_BASISSET(1) 	     General Commands Manual		 XTP_BASISSET(1)

NAME
     xtp_basisset - Part of the VOTCA package

SYNOPSIS
     xtp_basisset [OPTIONS]

     xtp_basisset [--help]

DESCRIPTION
     Creates votca xml basissetfiles from NWCHEM basissetfiles

OPTIONS
     options:

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

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

COPYRIGHT
     Copyright 2009-2024 The VOTCA Development Team (http://www.votca.org)

     Licensed under the Apache License, Version 2.0 (the "License"); you may not
     use  this	 file  except  in compliance with the License.	You may obtain a
     copy of the License at

	    http://www.apache.org/licenses/LICENSE-2.0

     Unless  required by applicable law or agreed to in writing,  software  dis-
     tributed under the License is distributed on an "AS IS" BASIS, WITHOUT WAR-
     RANTIES  OR  CONDITIONS  OF  ANY  KIND, either  express  or  implied.   See
     the  License  for	the  specific  language  governing permissions and limi-
     tations under the License.

VOTCA Development Team	     xtp_basisset User Manual		 XTP_BASISSET(1)

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<https://man.freebsd.org/cgi/man.cgi?query=xtp_basisset&sektion=1&manpath=FreeBSD+Ports+15.1.quarterly>

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