1 /*
2 pspw_molecule.c
3 author - Eric Bylaska
4 */
5
6 #include <stdlib.h>
7 #include <stdio.h>
8 #include "pspw_molecule.h"
9
10
11
12
main()13 main()
14 {
15 int m,m1,msize;
16 int i,asize,indx[50],cyclic;
17
18 pspw_molecule_read("MOLECULE");
19
20 msize = pspw_molecule_size();
21 printf("msize: %d\n\n",msize);
22 for (m=1; m<=msize; ++m)
23 {
24 pspw_molecule_data(&m,&asize,indx,&cyclic);
25 printf("asize: %d\n",asize);
26 for (i=0; i<asize; ++i)
27 printf("%d ",indx[i]);
28 if (cyclic) printf("c\n");
29 else printf("l\n");
30 }
31 pspw_molecule_end();
32
33 }
34 /* $Id$ */
35