2 * bonding analyzation code
4 * author: frank.zirkelbach@physik.uni-augsburg.de
13 //#include <sys/types.h>
14 //#include <sys/stat.h>
19 int usage(char *prog) {
22 printf(" %s <save file>\n\n",prog);
27 int main(int argc,char **argv) {
38 memset(&moldyn,0,sizeof(t_moldyn));
40 printf("[bond analyze] reading save file ...\n");
41 ret=moldyn_read_save_file(&moldyn,argv[1]);
43 printf("[bond analyze] exit!\n");
47 bond_analyze(&moldyn,&quality);
49 printf("[bond analyze] quality = %f\n",quality);
51 moldyn_free_save_file(&moldyn);