arcanis/moldyn
1
0
Fork 0
mirror of https://github.com/arcan1s/moldyn.git synced 2025-06-28 06:41:42 +00:00
Code Issues Projects Releases Wiki Activity

Translate to english

Browse Source 
Adapted to Linux
This commit is contained in:
arcan1s
2012-11-23 15:56:41 +04:00
parent 85e27fdc30
commit 3c1eb2d6c8
4 changed files with 21 additions and 19 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
agl/AGL for v.3.c
View File

@ -3,6 +3,7 @@
#include <conio.h>
#include <ctype.h>
#include <math.h>
#include <string.h>
double cell[3], a[10000][3], c[250][30][3];
@ -382,21 +383,22 @@ void main(void)
f=fopen ("input_agl.dat", "r");
for (i=0; i<24; i++)
for (i=0; i<10; i++)
fscanf (f, "%c", &q[i]);
fscanf (f, "%s", &name);
for (i=0; i<19; i++)
for (i=0; i<24; i++)
fscanf (f, "%c", &q[i]);
fscanf (f, "%i", &agl);
for (i=0; i<10; i++)
for (i=0; i<15; i++)
fscanf (f, "%c", &q[i]);
for (i=0; i<3; i++)
fscanf (f, "%lf", &cell[i]);
fgets (q, 128, f);
for (i=0; i<25; i++)
for (i=0; i<7; i++)
fscanf (f, "%c", &q[i]);
fscanf (f, "%s", &out_name);
fclose (f);
k = strlen (out_name);
out_name[k] = out_name[k-4];

8
agl/input_agl.dat
View File

@ -1,4 +1,4 @@
<EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD> <20> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: meth.txt
<EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: 2
<EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><>: 24.42 24.40 24.49
<EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD> <20> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: out.pdb
File name: meth.txt
Number of aglomerates: 2
Cell dimention: 24.42 24.40 24.49
Output: out.pdb

4
graph/graph.c
View File

@ -172,9 +172,9 @@ void main()
j = 1;
if (j != 1)
printf ("\nGraths are isomorthic.\n");
printf ("\nGraphs are isomorthic.\n");
else
printf ("\nGraths aren't isomorthic.\n");
printf ("\nGraphs aren't isomorthic.\n");
getch();
}

18
stat/input_stat.dat
View File

@ -1,9 +1,9 @@
<EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD>: meth
<EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: 1 3 (<28><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>; <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>)
<EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><>: 24.42 24.40 24.49 (a; b; c)
<EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD>: 2 (0 - <20><><EFBFBD>.<2E><><EFBFBD><EFBFBD>.; 1 - <20><><EFBFBD>.<2E><><EFBFBD><EFBFBD>. <20> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD>; 2 - <20><><EFBFBD>.<2E><><EFBFBD><EFBFBD>. <20> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>; 3 - <20><><EFBFBD><EFBFBD>. <20><><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>)
<EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: 2 (1 - <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>; 2 - <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>)
<EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: 6 21 (1<><31> <20><><EFBFBD><EFBFBD>, 2<><32> <20><><EFBFBD><EFBFBD>; <20><><EFBFBD> <20><><EFBFBD><EFBFBD>)
<EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: 3.2 2.4 (1-1 <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>, 1-2 <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>; <20><><EFBFBD> 1-1 <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>)
<EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD>. <20><><EFBFBD> <20><><EFBFBD><EFBFBD>.: 4
<EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD> <20> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: out_all.dat
Mask: meth
Trajectory step: 1 3 (first; last)
Cell dimention: 24.42 24.40 24.49 (a; b; c)
Parametr: 2 (0 - gen.stat; 1 - gen.stat and bonds length; 2 - gen.stat and bonds length and form of agl; 3 - stat for once molecule)
Interaction: 2 (1 - mono; 2 - di)
Atom types: 6 21 (1st atom, 2nd atom; or atom)
Criteria: 3.2 2.4 (1-1 criterion, 1-2 criterion; or 1-1 criterion)
Num of mol.for stat: 4
Output: out_all.dat