NAME¶

xtp_run - Part of the VOTCA package

For more info please visit http://www.votca.org

SYNOPSIS¶

xtp_run [OPTION] [ARGUMENT]

DESCRIPTION¶

Runs excitation/charge transport calculators

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 options

-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

-t [ --nthreads ] arg (=1)

number of threads to create

-s [ --save ] arg (=1)

whether or not to save changes to state file

-e [ --execute ] arg

Name of calculator to run

-l [ --list ]

Lists all available calculators

-d [ --description ] arg

Short description of a calculator

--man

output man-formatted manual pages

--tex

output tex-formatted manual pages

AUTHORS¶

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

COPYRIGHT¶

Copyright 2009-2020 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.