arcanis/moldyn
1
0
Fork 0
mirror of https://github.com/arcan1s/moldyn.git synced 2025-07-06 18:45:46 +00:00
Code Issues Projects Releases Wiki Activity

added structure to all functions of library

Browse Source
This commit is contained in:
arcan1s
2014-01-28 03:11:30 +04:00
parent 38eb392e32
commit d88f3b317f
44 changed files with 945 additions and 819 deletions
Download Patch File Download Diff File Expand all files Collapse all files

22
mathmech/mm/src/print_trj.c
View File

@ -4,6 +4,8 @@
#include <stdio.h>
#include <mathmech/print_trj.h>
/**
* @fn printing_trj
@ -11,24 +13,6 @@
int printing_trj (const char *filename, const int atoms, const int num_types, const int *num_mol,
const int *num_atoms, const char *ch_atom_types, const int *atom_types,
const float *coords)
/**
* @brief function that prints trajectory snapshots
* @code
* printing_trj (filename, atoms, num_types, num_mol, num_atoms, ch_atom_types,
* atom_types, coords);
* @endcode
*
* @param filename output file name
* @param atoms number of atoms in system
* @param num_types number of molecule types
* @param num_mol massive of number of molecule of selected type
* @param num_atoms massive of number of atoms of selected molecule
* @param ch_atom_types massive of char atom types
* @param atom_types massive of atom types
* @param coords massive of coordinates
*
* @return 0 - exit without errors
*/
{
int cur_mol, cur_type[2], i, j, k, l;
FILE *f_out;
@ -68,4 +52,4 @@ coords[3*i+1], coords[3*i+2], atom_types[cur_type[1]], cur_mol);
fclose (f_out);
return 0;
}
}