1XTP_BASISSET(1)             General Commands Manual            XTP_BASISSET(1)
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NAME

6       xtp_basisset - Part of the VOTCA package
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SYNOPSIS

11       xtp_basisset [OPTIONS]
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13       xtp_basisset [--help]
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DESCRIPTION

18       Creates votca xml basissetfiles from NWCHEM basissetfiles
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OPTIONS

24       options:
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26         -h, --help                                     show this help message
27       and
28                                                        exit
29         -f INPUT, --input INPUT                        NWchem file containing
30       the
31                                                        basisset or Turbomole
32       folder
33                                                        with element names.
34         -o OUTPUTFILE, --outputvotca OUTPUTFILE        Path of votca
35       outputfile
36         -t TURBOBASIS, --turbomolebasisset TURBOBASIS  For turbomole specify
37       the
38                                                        basisset that is
39       supposed to
40                                                        be extracted from
41       Files, for
42                                                        auxbasis sets the
43       basisset
44                                                        the aux basisset is
45       supposed
46                                                        to be used for.
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AUTHORS

50       Written and maintained by the VOTCA Development Team <devs@votca.org>
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55       Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
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57       Licensed under the Apache License, Version 2.0 (the "License"); you may
58       not use this  file except in compliance with the License.  You may
59       obtain a copy of the License at
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61              http://www.apache.org/licenses/LICENSE-2.0
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63       Unless  required by applicable law or agreed to in writing, software
64       distributed under the License is distributed on an "AS IS" BASIS,
65       WITHOUT WARRANTIES OR CONDITIONS OF ANY  KIND, either  express  or
66       implied.   See  the  License  for  the  specific  language  governing
67       permissions and limitations under the License.
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72VOTCA Development Team      xtp_basisset User Manual           XTP_BASISSET(1)
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