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Added documentatiion in russian

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arcan1s
2013-09-02 21:35:07 +04:00
parent cd3857adc1
commit d7f7a9c2b5
35 changed files with 39 additions and 36 deletions
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4
mathmech/CMakeLists.txt
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@ -1,6 +1,6 @@
set ("PROJECT_VERSION_MAJOR" 1) set ("PROJECT_VERSION_MAJOR" 1)
set ("PROJECT_VERSION_MINOR" 0) set ("PROJECT_VERSION_MINOR" 1)
set ("PROJECT_VERSION_PATCH" 3) set ("PROJECT_VERSION_PATCH" 0)
set ("PROJECT_VERSION" ${PROJECT_VERSION_MAJOR}.${PROJECT_VERSION_MINOR}.${PROJECT_VERSION_PATCH}) set ("PROJECT_VERSION" ${PROJECT_VERSION_MAJOR}.${PROJECT_VERSION_MINOR}.${PROJECT_VERSION_PATCH})
message (STATUS "Version ${PROJECT_VERSION}") message (STATUS "Version ${PROJECT_VERSION}")

2
mathmech/PKGBUILD
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@ -2,7 +2,7 @@
# Maintainer: Evgeniy "arcanis" Alexeev <esalexeev@gmail.com> # Maintainer: Evgeniy "arcanis" Alexeev <esalexeev@gmail.com>
pkgname=mathmech pkgname=mathmech
pkgver=1.0.3 pkgver=1.1.0
pkgrel=1 pkgrel=1
pkgdesc="Software package for analysis of molecular dynamics trajectories" pkgdesc="Software package for analysis of molecular dynamics trajectories"
arch=(any) arch=(any)

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mathmech/README.doc Normal file
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mathmech/mathmech/README
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@ -1,3 +1,3 @@
Mathematical Molecular Mechanics is GUI for "mm" program pack Mathematical Molecular Mechanics is GUI for "mm" program pack
Version: 1.0.3 Version: 1.1.0
License: GPL License: GPL

2
mathmech/mathmech/resources/translations/eng.ts
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@ -29,7 +29,7 @@ p, li { white-space: pre-wrap; }
&lt;/style&gt;&lt;/head&gt;&lt;body style=&quot; font-family:&apos;Liberation Serif&apos;; font-size:10pt; font-weight:400; font-style:normal;&quot;&gt; &lt;/style&gt;&lt;/head&gt;&lt;body style=&quot; font-family:&apos;Liberation Serif&apos;; font-size:10pt; font-weight:400; font-style:normal;&quot;&gt;
&lt;p align=&quot;center&quot; style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Mathematical Molecular Mechanics&lt;/span&gt;&lt;/p&gt; &lt;p align=&quot;center&quot; style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Mathematical Molecular Mechanics&lt;/span&gt;&lt;/p&gt;
&lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt; &lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt;
&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Version:&lt;/span&gt; 1.0.3&lt;/p&gt; &lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Version:&lt;/span&gt; 1.1.0&lt;/p&gt;
&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;License:&lt;/span&gt; GPL&lt;/p&gt; &lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;License:&lt;/span&gt; GPL&lt;/p&gt;
&lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt; &lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt;
&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Author:&lt;/span&gt; Evgeniy Alekseev&lt;/p&gt; &lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Author:&lt;/span&gt; Evgeniy Alekseev&lt;/p&gt;

2
mathmech/mathmech/resources/translations/rus.ts
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@ -29,7 +29,7 @@ p, li { white-space: pre-wrap; }
&lt;/style&gt;&lt;/head&gt;&lt;body style=&quot; font-family:&apos;Liberation Serif&apos;; font-size:10pt; font-weight:400; font-style:normal;&quot;&gt; &lt;/style&gt;&lt;/head&gt;&lt;body style=&quot; font-family:&apos;Liberation Serif&apos;; font-size:10pt; font-weight:400; font-style:normal;&quot;&gt;
&lt;p align=&quot;center&quot; style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Mathematical Molecular Mechanics&lt;/span&gt;&lt;/p&gt; &lt;p align=&quot;center&quot; style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Mathematical Molecular Mechanics&lt;/span&gt;&lt;/p&gt;
&lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt; &lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt;
&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Версия:&lt;/span&gt; 1.0.3&lt;/p&gt; &lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Версия:&lt;/span&gt; 1.1.0&lt;/p&gt;
&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Лицензия:&lt;/span&gt; GPL&lt;/p&gt; &lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Лицензия:&lt;/span&gt; GPL&lt;/p&gt;
&lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt; &lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt;
&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Автор:&lt;/span&gt; Evgeniy Alekseev&lt;/p&gt; &lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Автор:&lt;/span&gt; Evgeniy Alekseev&lt;/p&gt;

3
mathmech/mathmech/src/mainwindow.ui
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@ -1352,6 +1352,9 @@
<property name="toolTip"> <property name="toolTip">
<string>Number of steps of analysis</string> <string>Number of steps of analysis</string>
</property> </property>
<property name="alignment">
<set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
</property>
<property name="minimum"> <property name="minimum">
<number>1</number> <number>1</number>
</property> </property>

2
mathmech/mathmech/src/mathmech.pro.user
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@ -1,6 +1,6 @@
<?xml version="1.0" encoding="UTF-8"?> <?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE QtCreatorProject> <!DOCTYPE QtCreatorProject>
<!-- Written by QtCreator 2.8.1, 2013-08-30T20:53:17. --> <!-- Written by QtCreator 2.8.1, 2013-09-02T16:20:54. -->
<qtcreator> <qtcreator>
<data> <data>
<variable>ProjectExplorer.Project.ActiveTarget</variable> <variable>ProjectExplorer.Project.ActiveTarget</variable>

2
mathmech/mm_agl/README
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@ -1,5 +1,5 @@
mm_agl - program that creates PDB file with chosen agglomerate mm_agl - program that creates PDB file with chosen agglomerate
Version: 1.0.3 Version: 1.1.0
License: GPL License: GPL
Usage: Usage:

2
mathmech/mm_agl/mm_agl.doxygen
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_agl
# This could be handy for archiving the generated documentation or # This could be handy for archiving the generated documentation or
# if some version control system is used. # if some version control system is used.
PROJECT_NUMBER = V.1.0.3 PROJECT_NUMBER = V.1.1.0
# Using the PROJECT_BRIEF tag one can provide an optional one line description # Using the PROJECT_BRIEF tag one can provide an optional one line description
# for a project that appears at the top of each page and should give viewer # for a project that appears at the top of each page and should give viewer

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mathmech/mm_agl/mm_agl.pdf
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mathmech/mm_agl/src/main.c
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@ -134,7 +134,7 @@ int main(int argc, char *argv[])
{ {
sprintf (tmp_str, " mm_agl\n"); sprintf (tmp_str, " mm_agl\n");
sprintf (tmp_str, "%sProgram for create PDB file with chosen agglomerate\n", tmp_str); sprintf (tmp_str, "%sProgram for create PDB file with chosen agglomerate\n", tmp_str);
sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str); sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str); sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str); sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
sprintf (tmp_str, "%sUsage:\n", tmp_str); sprintf (tmp_str, "%sUsage:\n", tmp_str);

2
mathmech/mm_envir/README
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@ -1,5 +1,5 @@
mm_envir - program that searchs environment for chosen molecule by geometric criterion mm_envir - program that searchs environment for chosen molecule by geometric criterion
Version: 1.0.3 Version: 1.1.0
License: GPL License: GPL
Usage: Usage:

2
mathmech/mm_envir/mm_envir.doxygen
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_envir
# This could be handy for archiving the generated documentation or # This could be handy for archiving the generated documentation or
# if some version control system is used. # if some version control system is used.
PROJECT_NUMBER = V.1.0.3 PROJECT_NUMBER = V.1.1.0
# Using the PROJECT_BRIEF tag one can provide an optional one line description # Using the PROJECT_BRIEF tag one can provide an optional one line description
# for a project that appears at the top of each page and should give viewer # for a project that appears at the top of each page and should give viewer

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mathmech/mm_envir/mm_envir.pdf
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mathmech/mm_envir/src/main.c
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@ -136,7 +136,7 @@ int main(int argc, char *argv[])
{ {
sprintf (tmp_str, " mm_envir\n"); sprintf (tmp_str, " mm_envir\n");
sprintf (tmp_str, "%sProgram for search environment for chosen molecule by geometric criterion\n", tmp_str); sprintf (tmp_str, "%sProgram for search environment for chosen molecule by geometric criterion\n", tmp_str);
sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str); sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str); sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str); sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
sprintf (tmp_str, "%sUsage:\n", tmp_str); sprintf (tmp_str, "%sUsage:\n", tmp_str);

6
mathmech/mm_radf/README
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@ -4,14 +4,14 @@ Version : 1.0.3
License : GPL License : GPL
Usage: Usage:
mm_radf -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ] 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 ] [ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]
Parametrs: Parametrs:
-i - mask of input files -i - mask of input files
-s - trajectory steps (integer) -s - trajectory steps (integer)
-c - cell size (float), A -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) (will enable RDF calculation for center mass automaticaly)
-o - output file name -o - output file name
-r - minimal and maximal radii for analyze (float), A. Default is '2.0,15.0' -r - minimal and maximal radii for analyze (float), A. Default is '2.0,15.0'

2
mathmech/mm_radf/mm_radf.doxygen
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_radf
# This could be handy for archiving the generated documentation or # This could be handy for archiving the generated documentation or
# if some version control system is used. # if some version control system is used.
PROJECT_NUMBER = V.1.0.3 PROJECT_NUMBER = V.1.1.0
# Using the PROJECT_BRIEF tag one can provide an optional one line description # Using the PROJECT_BRIEF tag one can provide an optional one line description
# for a project that appears at the top of each page and should give viewer # for a project that appears at the top of each page and should give viewer

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mathmech/mm_radf/mm_radf.pdf
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mathmech/mm_radf/src/add_main.c
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@ -127,7 +127,7 @@ int printing_head (const char *output, const int log, const int quiet, const int
FILE *f_out; FILE *f_out;
f_out = fopen (output, "w"); f_out = fopen (output, "w");
fprintf (f_out, "radf ::: V.1.0.3\n\n"); fprintf (f_out, "radf ::: V.1.1.0\n\n");
fprintf (f_out, "CONFIGURATION\n"); fprintf (f_out, "CONFIGURATION\n");
fprintf (f_out, "LOG=%i\nQUIET=%i\nMATRIX=%i\n", log, quiet, matrix); fprintf (f_out, "LOG=%i\nQUIET=%i\nMATRIX=%i\n", log, quiet, matrix);

8
mathmech/mm_radf/src/main.c
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@ -25,13 +25,13 @@
* @section How-To-Use How to use * @section How-To-Use How to use
* Usage: * Usage:
* <pre> * <pre>
* mm_radf -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ] * 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 ] * [ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]
* Parametrs: * Parametrs:
* -i - mask of input files * -i - mask of input files
* -s - trajectory steps (integer) * -s - trajectory steps (integer)
* -c - cell size (float), A * -c - cell size (float), A
* -a - atom types (integer). Format: 'ATOM1-ATOM2' or 'A1,A2,A3-B1,B2,B3' * -at - atom types (integer). Format: 'ATOM1-ATOM2' or 'A1,A2,A3-B1,B2,B3'
* (will enable RDF calculation for center mass automaticaly) * (will enable RDF calculation for center mass automaticaly)
* -o - output file name * -o - output file name
* -r - minimal and maximal radii for analyze (float), A. Default is '2.0,15.0' * -r - minimal and maximal radii for analyze (float), A. Default is '2.0,15.0'
@ -153,7 +153,7 @@ int main(int argc, char *argv[])
sprintf (tmp_str, " mm_radf\n"); sprintf (tmp_str, " mm_radf\n");
sprintf (tmp_str, "%sProgram that calculates radial distribution function (RDF) or radial-angles\n", tmp_str); sprintf (tmp_str, "%sProgram that calculates radial distribution function (RDF) or radial-angles\n", tmp_str);
sprintf (tmp_str, "%sdistribution function\n", tmp_str); sprintf (tmp_str, "%sdistribution function\n", tmp_str);
sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str); sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str); sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str); sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
sprintf (tmp_str, "%sUsage:\n", tmp_str); sprintf (tmp_str, "%sUsage:\n", tmp_str);

2
mathmech/mm_statgen/README
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@ -1,5 +1,5 @@
mm_statgen - program that analyzes molecular dynamic trajectories using topological analysis mm_statgen - program that analyzes molecular dynamic trajectories using topological analysis
Version: 1.0.3 Version: 1.1.0
License: GPL License: GPL
Usage: Usage:

2
mathmech/mm_statgen/mm_statgen.doxygen
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_statgen
# This could be handy for archiving the generated documentation or # This could be handy for archiving the generated documentation or
# if some version control system is used. # if some version control system is used.
PROJECT_NUMBER = V.1.0.3 PROJECT_NUMBER = V.1.1.0
# Using the PROJECT_BRIEF tag one can provide an optional one line description # Using the PROJECT_BRIEF tag one can provide an optional one line description
# for a project that appears at the top of each page and should give viewer # for a project that appears at the top of each page and should give viewer

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mathmech/mm_statgen/mm_statgen.pdf
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mathmech/mm_statgen/src/add_main.c
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@ -92,7 +92,7 @@ int printing_head (const char *output, const int log, const int quiet,
FILE *f_out; FILE *f_out;
f_out = fopen (output, "w"); f_out = fopen (output, "w");
fprintf (f_out, "statgen ::: V.1.0.3\n\n"); fprintf (f_out, "statgen ::: V.1.1.0\n\n");
fprintf (f_out, "CONFIGURATION\n"); fprintf (f_out, "CONFIGURATION\n");
fprintf (f_out, "LOG=%i\nQUIET=%i\n", log, quiet); fprintf (f_out, "LOG=%i\nQUIET=%i\n", log, quiet);

2
mathmech/mm_statgen/src/main.c
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@ -168,7 +168,7 @@ int main (int argc, char *argv[])
{ {
sprintf (tmp_str, " mm_statgen\n"); sprintf (tmp_str, " mm_statgen\n");
sprintf (tmp_str, "%sProgram for analyze molecular dynamic trajectories\n", tmp_str); sprintf (tmp_str, "%sProgram for analyze molecular dynamic trajectories\n", tmp_str);
sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str); sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str); sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str); sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
sprintf (tmp_str, "%sUsage:\n", tmp_str); sprintf (tmp_str, "%sUsage:\n", tmp_str);

6
mathmech/mm_statgen/src/summary_stat.c
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@ -71,11 +71,11 @@ int summary_statistic (const char *filename, const int step, const int num_mol,
x = type_agl[0] + type_agl[1]; x = type_agl[0] + type_agl[1];
type[0] = type_agl[0]; type[0] = type_agl[0];
type[1] = type_agl[1]; type[1] = type_agl[1];
fprintf (f_out, "LINEAR=%7.5f\nCYCLE=%7.5f\n--------------------\n", type[0]/x, type[1]/x); fprintf (f_out, "LINEAR=%.5f\nCYCLE=%.5f\n--------------------\n", type[0]/x, type[1]/x);
// branched // branched
type[0] = type_agl[2]; type[0] = type_agl[2];
type[1] = type_agl[3]; type[1] = type_agl[3];
fprintf (f_out, "NOT BRANCHED=%7.5f\nBRANCHED=%7.5f\n--------------------\n", type[0]/x, type[1]/x); fprintf (f_out, "NOT BRANCHED=%.5f\nBRANCHED=%.5f\n--------------------\n", type[0]/x, type[1]/x);
// n_cycle // n_cycle
x = 0; x = 0;
for (i=4; i<max_depth+2; i++) for (i=4; i<max_depth+2; i++)
@ -83,7 +83,7 @@ int summary_statistic (const char *filename, const int step, const int num_mol,
for (i=4; i<max_depth+2; i++) for (i=4; i<max_depth+2; i++)
{ {
type[0] = type_agl[i]; type[0] = type_agl[i];
fprintf (f_out, "CYCLE_'%2i'=%7.5f\n", i-1, type[0]/x); fprintf (f_out, "CYCLE_'%2i'=%.5f\n", i-1, type[0]/x);
} }
} }

4
mathmech/mm_trj/README
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@ -3,8 +3,8 @@ Version : 1.0.3
License : GPL License : GPL
Usage: Usage:
mm_trj -i INPUT_TRJ -t INPUT_TYPE -s NUMBER -a INPUT_ATOMS -o OUTPUT [ -tt TOTAL_TYPES ] mm_trj -i INPUT_TRJ -t INPUT_TYPE -s NUMBER -a INPUT_ATOMS -o OUTPUT [ -tt TOTAL_TYPES ]
[ -l LOGFILE ] [ -q ] [ -h ] [ -l LOGFILE ] [ -q ] [ -h ]
Parametrs: Parametrs:
-i - input file name -i - input file name

2
mathmech/mm_trj/mm_trj.doxygen
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_trj
# This could be handy for archiving the generated documentation or # This could be handy for archiving the generated documentation or
# if some version control system is used. # if some version control system is used.
PROJECT_NUMBER = V.1.0.3 PROJECT_NUMBER = V.1.1.0
# Using the PROJECT_BRIEF tag one can provide an optional one line description # Using the PROJECT_BRIEF tag one can provide an optional one line description
# for a project that appears at the top of each page and should give viewer # for a project that appears at the top of each page and should give viewer

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mathmech/mm_trj/mm_trj.pdf
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mathmech/mm_trj/src/main.c
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@ -133,7 +133,7 @@ int main(int argc, char *argv[])
{ {
sprintf (tmp_str, " mm_trj\n"); sprintf (tmp_str, " mm_trj\n");
sprintf (tmp_str, "%sProgram that generates trajectory files\n", tmp_str); sprintf (tmp_str, "%sProgram that generates trajectory files\n", tmp_str);
sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str); sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str); sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str); sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
sprintf (tmp_str, "%sUsage:\n", tmp_str); sprintf (tmp_str, "%sUsage:\n", tmp_str);

2
mathmech/mm_trj2pdb/README
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@ -1,5 +1,5 @@
mm_trj2pdb - program that creates PDB file from trajetory snapshot mm_trj2pdb - program that creates PDB file from trajetory snapshot
Version: 1.0.3 Version: 1.1.0
License: GPL License: GPL
Usage: Usage:

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mathmech/mm_trj2pdb/mm_trj2pdb.doxygen
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_trj2pdb
# This could be handy for archiving the generated documentation or # This could be handy for archiving the generated documentation or
# if some version control system is used. # if some version control system is used.
PROJECT_NUMBER = V.1.0.3 PROJECT_NUMBER = V.1.1.0
# Using the PROJECT_BRIEF tag one can provide an optional one line description # Using the PROJECT_BRIEF tag one can provide an optional one line description
# for a project that appears at the top of each page and should give viewer # for a project that appears at the top of each page and should give viewer

BIN
mathmech/mm_trj2pdb/mm_trj2pdb.pdf
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2
mathmech/mm_trj2pdb/src/main.c
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@ -125,7 +125,7 @@ int main(int argc, char *argv[])
{ {
sprintf (tmp_str, " mm_trj2pdb\n"); sprintf (tmp_str, " mm_trj2pdb\n");
sprintf (tmp_str, "%sProgram for create PDB file from trajectory snapshot\n", tmp_str); sprintf (tmp_str, "%sProgram for create PDB file from trajectory snapshot\n", tmp_str);
sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str); sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str); sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str); sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
sprintf (tmp_str, "%sUsage:\n", tmp_str); sprintf (tmp_str, "%sUsage:\n", tmp_str);