1XTP_RUN(1)                  General Commands Manual                 XTP_RUN(1)
2
3
4

NAME

6       xtp_run - Part of the VOTCA package
7
8
9

SYNOPSIS

11       xtp_run [OPTIONS]
12
13       xtp_run [--help]
14
15
16

DESCRIPTION

18       Runs excitation/charge transport calculators
19
20
21
22
23
24

OPTIONS

26       Allowed options:
27
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
40       to
41                                        separate multiple options
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
47       state file
48
49

AUTHORS

51       Written and maintained by the VOTCA Development Team <devs@votca.org>
52
53
54
56       Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
57
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
61
62              http://www.apache.org/licenses/LICENSE-2.0
63
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.
69
70
71
72
73VOTCA Development Team        xtp_run User Manual                   XTP_RUN(1)
Impressum