Maybe found a bug... Lash sh was not initialized to 0 after each calculation

Samo Penic

2012-07-09 8e58b474db332bf54c3e91684d8ac8d3f14ef11b

 src/vertex.c

@@ -23,6 +23,17 @@
    for(i=0;i<N;i++) {
        vlist->vtx[i]=(ts_vertex *)calloc(1,sizeof(ts_vertex));
        vlist->vtx[i]->idx=i;

    /* initialize Ylm for spherical hamonics DONE in sh.c */
/*    for(i=0;i<l;i++){
        vlist->vtx[i]->Ylm[i]=(ts_double **)calloc(2*i+1,sizeof(ts_double *));
        for(j=0;j<(2*i+1);j++){
            clist->vtx[i]->Ylm[i][j]=(ts_double *)calloc(sizeof(ts_double));
        }
    }
*/


    }
    vlist->n=N;
   return vlist;
@@ -131,7 +142,6 @@
    if(vtx->neigh!=NULL)   free(vtx->neigh);
    if(vtx->tristar!=NULL) free(vtx->tristar);
    if(vtx->bond!=NULL)    free(vtx->bond);

    free(vtx);
    return TS_SUCCESS;
}