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root/group/trunk/OOPSE-4/src/applications/thermalizer/thermalizer.ggo
Revision: 3059
Committed: Fri Oct 20 14:59:05 2006 UTC (17 years, 9 months ago) by gezelter
File size: 498 byte(s)
Log Message:
more openbabel updates, also changing velocitizer to thermalizer to
avoid a filename collision on case-insensitve file systems

File Contents

# Content
1 # Input file for gengetopt --generates cmdline.c and cmdline.h
2 # for parsing command line arguments useing getopt and getoptlong.
3 # gengetopt is available from:
4 # http://www.gnu.org/software/gengetopt/gengetopt.html
5 package "thermalizer"
6 version "1.0"
7 purpose "Resamples the velocities for all the integrable objects in an OOPSE file from a Maxwell-Boltzmann distribution."
8
9 # Options
10
11 option "output" o "Output file name" string yes
12 option "temperature" t "temperature (K)" double yes