Added radf-1.0.1b

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arcan1s
2013-08-02 06:14:41 +04:00
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radf - program that calculates radial distribution function (RDF) or radial-angles
distribution function
Version : 1.0.1
License : GPL
Usage:
radf -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ]
[ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]
Parametrs:
-i - mask of input files
-s - trajectory steps (integer)
-c - cell size (float), A
-a - atom types (integer). Format: 'ATOM1-ATOM2' or 'A1,A2,A3-B1,B2,B3'
(will enable RDF calculation for center mass automaticaly)
-o - output file name
-r - minimal and maximal radii for analyze (float), A. Default is '2.0,15.0'
-rs - radius step for analyze (float), A. Default is '0.2'
-a - minimal and maximal angles for analyze (float), deg. Default is '0.0,90.0'
-as - angle step for analyze (float), deg. This option will enable RADF
calculation automaticaly
-m - matrix output enable
-l - log enable
-q - quiet enable
-h - show this help and exit