mirror of
https://github.com/arcan1s/moldyn.git
synced 2025-07-13 22:05:50 +00:00
62 lines
1.7 KiB
Plaintext
62 lines
1.7 KiB
Plaintext
/*! @mainpage statgen
|
|
*
|
|
* @section intro_sec Introduction
|
|
*
|
|
* <b>Developer</b>:
|
|
* <ul>
|
|
* <li>Evgeniy Alekseev aka arcanis <pre><esalexeev (at) gmail (dot) com></pre>
|
|
*</ul>
|
|
* <b>License</b>:
|
|
* <ul>
|
|
* <li>GPL
|
|
* </ul>
|
|
*
|
|
* @section How-To-Use How to use
|
|
* Usage:
|
|
* <pre>
|
|
* statgen -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -r ... -o OUTPUT [ -g DEPTH ]
|
|
* [ -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' or 'ATOM1,ATOM2' or etc
|
|
* -r - criteria (float), A. Format: '0-0:2.4,0-1:3.0' means 0-0-interaction
|
|
* (<2.4 A) and 0-1 (<3.0) are needed. This flag can be used multiple times
|
|
* -o - output file name
|
|
* -g - check graph isomorphism. DEPTH is max depth for check cycles (>= 3)
|
|
* -l - log enable
|
|
* -q - quiet enable
|
|
* -h - show this help and exit
|
|
* </pre>
|
|
*
|
|
* @page Install
|
|
*
|
|
* @section Requirements Requirements
|
|
* The application statgen requires the following external stuff:
|
|
* - cmake >= 2.8
|
|
* - gcc >= 4.8
|
|
*
|
|
* @section How-To How to install
|
|
*
|
|
* @subsection Linux Linux
|
|
* @code
|
|
* mkdir build && cd build
|
|
* cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=Release ../
|
|
* make
|
|
* make install
|
|
* @endcode
|
|
*
|
|
* @subsection Windows Windows
|
|
* @code
|
|
* create project file using 'cmake'
|
|
* compile project
|
|
* @endcode
|
|
* You may also download compiled executable file for Win_x86.
|
|
*
|
|
* @page Changelog
|
|
* V.1.0.1 (2013-07-27)
|
|
* * initial release
|
|
*/
|