arcanis/moldyn
1
0
Fork 0
mirror of https://github.com/arcan1s/moldyn.git synced 2025-06-28 14:51:41 +00:00
Code Issues Projects Releases Wiki Activity

Added Makefile

Browse Source 
Added lib 'int2str.c'
Added 'main.c'
This commit is contained in:
arcan1s
2013-07-17 03:58:22 +04:00
parent 25da8b87e3
commit 709c4564c6
10 changed files with 391 additions and 64 deletions
Download Patch File Download Diff File Expand all files Collapse all files

36
stat_new/coords.c
View File

@ -11,22 +11,6 @@
#include <string.h>
char conv (int fnumb, int dig_pos)
{
int d, h, o;
char const digit[] = "0123456789";
h = fnumb / 100;
d = (fnumb % 100) / 10;
o = fnumb % 10;
if (dig_pos == 1) return digit[o];
if (dig_pos == 2) return digit[d];
if (dig_pos == 3) return digit[h];
else return digit[0];
}
int reading_coords (char *filename, int type_inter, const int *label_atom,
const float *cell, int *num_mol, int *num_atoms,
int *true_label_mol, int *label_mol,
@ -44,7 +28,7 @@ int reading_coords (char *filename, int type_inter, const int *label_atom,
*/
{
char file_string[256];
int atoms, i, j, tr_num_atoms, ref_mol, x, y, z;
int atoms, i, j, tr_num_atoms, ref_mol, x, y;
float not_tr_coords[750000], ref[3];
FILE *inp;
/* file_string - temp string variable
@ -291,23 +275,5 @@ int reading_coords (char *filename, int type_inter, const int *label_atom,
}
}
return 0;
}
int main (int argc, char *argv[])
{
// int i, label_atom[5], label_mol[200000], num_atoms, num_mol, type_atoms[200000];
// float a[600000], cell[3];
//
// for (i=0; i<5; i++)
// label_atom[i] = 0;
// label_atom[0] = 1;
// cell[0] = 34.8616;
// cell[1] = 34.7930;
// cell[2] = 34.7925;
//
// reading_coords ("oct.001", 1, label_atom, cell, &num_mol, &num_atoms, label_mol, type_atoms, a);
//
return 0;
}