arcanis/moldyn
1
0
Fork 0
mirror of https://github.com/arcan1s/moldyn.git synced 2025-07-24 02:59:57 +00:00
Code Issues Projects Releases Wiki Activity

Added documentatiion in russian

Browse Source
This commit is contained in:
arcan1s
2013-09-02 21:35:07 +04:00
parent cd3857adc1
commit d7f7a9c2b5
35 changed files with 39 additions and 36 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
mathmech/mm_radf/README
View File

@ -4,14 +4,14 @@ Version : 1.0.3
License : GPL
Usage:
mm_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 ]
mm_radf -i INPUT -s FIRST,LAST -c X,Y,Z -at ... -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'
-a5 - 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'