1XTP_RUN(1) General Commands Manual XTP_RUN(1)
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6 xtp_run - Part of the VOTCA package
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11 xtp_run [OPTIONS]
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13 xtp_run [--help]
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18 Runs excitation/charge transport calculators
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26 Allowed options:
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28 -h [ --help ] display this help and exit
29 --verbose be loud and noisy
30 --verbose1 be very loud and noisy
31 -v [ --verbose2 ] be extremly loud and noisy
32 -o [ --options ] arg Calculator user options.
33 -t [ --nthreads ] arg (=1) number of threads to create
34 -e [ --execute ] arg Name of Calculator to run
35 -l [ --list ] Lists all available Calculators
36 -d [ --description ] arg Short description of a Calculators
37 -c [ --cmdoptions ] arg Modify options via command line by
38 e.g. '-c
39 xmltag.subtag=value'. Use whitespace
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42 -p [ --printoptions ] arg Prints xml options of a Calculator
43 -f [ --file ] arg hdf5 state file, *.hdf5
44 -i [ --first-frame ] arg (=0) start from this frame
45 -n [ --nframes ] arg (=1) number of frames to process
46 -s [ --save ] arg (=1) whether or not to save changes to
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51 Written and maintained by the VOTCA Development Team <devs@votca.org>
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56 Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
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58 Licensed under the Apache License, Version 2.0 (the "License"); you may
59 not use this file except in compliance with the License. You may
60 obtain a copy of the License at
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62 http://www.apache.org/licenses/LICENSE-2.0
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64 Unless required by applicable law or agreed to in writing, software
65 distributed under the License is distributed on an "AS IS" BASIS,
66 WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or
67 implied. See the License for the specific language governing
68 permissions and limitations under the License.
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73VOTCA Development Team xtp_run User Manual XTP_RUN(1)