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xtp_run - Man Page

Part of the VOTCA package


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>


xtp_run User Manual VOTCA Development Team