NAME¶
unitconv - simple energy and length units converter
SYNOPSIS¶
unitconv [
unit]
value
unitconv [
unit]
expression
DESCRIPTION¶
unitconv is a simple energy and length units converter (written in Tcl).
It is a utility program of
xcrysden package (
http://www.xcrysden.org/).
ENERGY UNITS¶
The following
energy units are supported. The following list contain the
"
unit -- description" pairs, where the
unit is to be
specified on the command line.
- au -- Hartree
- ry -- Rydberg
- ev -- eV (electron volt)
- kjm -- kJ/mol
- kj -- kJ
- kcalm -- kcal/mol
- kcal -- kcal
-
LENGTH UNITS¶
The following
length units are supported (usage as above):
- angs -- Angstrom
- bohr -- Bohr radius
- m -- meter
-
EXAMPLES¶
Convert a value from eV to other energy units:
unitconv ev 3.25
Calculate an expression (values in Rydberg unit) and convert to other energy
units (note that expression must be quoted):
unitconv ry "-103.134567 - (-240.691356 - -2*17.543471)/2"
In expression also mathematical functions available in
tclsh can be used.
COPYRIGHT¶
Copyright (C) 1996--2012 Anton Kokalj
This program is free software; you can redistribute it and/or modify it under
the terms of the GNU General Public License as published by the Free Software
Foundation; either version 2 of the License, or (at your option) any later
version. You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software Foundation, Inc.,
59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
This program is distributed in the hope that it will be useful, but WITHOUT ANY
WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR
A PARTICULAR PURPOSE. See the GNU General Public License for more details.