xtp_run - Man Page

xtp_run [Options]

xtp_run [--help]

Runs excitation/charge transport calculators

Allowed options:

 -h [ --help ]                    display this help and exit
 --verbose                        be loud and noisy
 --verbose1                       be very loud and noisy
 -v [ --verbose2 ]                be extremly loud and noisy
 -o [ --options ] arg             Calculator user options.
 -t [ --nthreads ] arg (=1)       number of threads to create
 -e [ --execute ] arg           Name of Calculator to run
 -l [ --list ]                  Lists all available Calculators
 -d [ --description ] arg       Short description of a Calculators
 -c [ --cmdoptions ] arg        Modify options via command line by e.g. '-c
                                xmltag.subtag=value'. Use whitespace to
                                separate multiple options
 -p [ --printoptions ] arg      Prints xml options of a Calculator
 -f [ --file ] arg                hdf5 state file, *.hdf5
 -i [ --first-frame ] arg (=0)    start from this frame
 -n [ --nframes ] arg (=1)        number of frames to process
 -s [ --save ] arg (=1)           whether or not to save changes to state file

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

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 distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY  KIND, either  express  or  implied.   See  the  License  for  the  specific  language  governing permissions and limitations under the License.