Trisurf Monte Carlo simulator
Samo Penic
2013-11-05 c58cd2c3a13498cd200a6e708181c3427e68bd30
src/energy.c
@@ -28,7 +28,7 @@
    ts_uint jjp,jjm;
    ts_vertex *j,*jp, *jm;
    ts_triangle *jt;
    ts_double s=0,xh=0,yh=0,zh=0,txn=0,tyn=0,tzn=0;
    ts_double s=0.0,xh=0.0,yh=0.0,zh=0.0,txn=0.0,tyn=0.0,tzn=0.0;
    ts_double x1,x2,x3,ctp,ctm,tot,xlen;
    ts_double h,ht;
    for(jj=1; jj<=vtx->neigh_no;jj++){
@@ -72,7 +72,9 @@
#endif
        tot=ctp+ctm;
        tot=0.5*tot;
        xlen=vtx_distance_sq(j,vtx);
/*
#ifdef  TS_DOUBLE_DOUBLE 
        vtx->bond[jj-1]->bond_length=sqrt(xlen); 
#endif
@@ -84,7 +86,7 @@
#endif
        vtx->bond[jj-1]->bond_length_dual=tot*vtx->bond[jj-1]->bond_length;
*/
        s+=tot*xlen;
        xh+=tot*(j->x - vtx->x);
        yh+=tot*(j->y - vtx->y);