2 * calcultae pair correlation function
4 * author: frank.zirkelbach@physik.uni-augsburg.de
13 #include <sys/types.h>
21 int main(int argc,char **argv) {
28 memset(&moldyn,0,sizeof(t_moldyn));
30 strcpy(color[0],"Yellow");
32 strcpy(color[1],"Gray");
35 ret=moldyn_read_save_file(&moldyn,argv[1]);
37 printf("%s exit!\n",ME);
42 printf("# [P] %d 0 <0,0,0>\n",moldyn.count);
44 for(i=0;i<moldyn.count;i++)
45 printf("%s %f %f %f %s %f\n",
46 type[moldyn.atom[i].brand],
50 color[moldyn.atom[i].brand],
51 moldyn.atom[i].ekin/EV);