Trisurf Monte Carlo simulator
Samo Penic
2020-07-06 608cbe1dd70feed73f702459c52876bf62f276b7
Triangles are in right order.
1 files modified
64 ■■■■ changed files
src/energy.c 64 ●●●● patch | view | raw | blame | history
src/energy.c
@@ -88,7 +88,7 @@
 * @returns TS_SUCCESS on successful calculation.
*/
inline ts_bool energy_vertex(ts_vertex *vtx){
    ts_uint jj, i, j, cnt=0;
    ts_uint jj, i, j;
    ts_double edge_vector_x[7]={0,0,0,0,0,0,0};
    ts_double edge_vector_y[7]={0,0,0,0,0,0,0};
    ts_double edge_vector_z[7]={0,0,0,0,0,0,0};
@@ -101,8 +101,11 @@
    ts_double vertex_normal_x=0.0;
    ts_double vertex_normal_y=0.0;
    ts_double vertex_normal_z=0.0;
    ts_triangle *triedge[2]={NULL,NULL};
//    ts_triangle *triedge[2]={NULL,NULL};
    ts_uint nei,neip,neim;
    ts_vertex *it, *k, *kp,*km;
    ts_triangle *lm=NULL, *lp=NULL;
    ts_double sumnorm;
    // Here edge vector is calculated
@@ -111,6 +114,51 @@
    edge_vector_x[jj]=vtx->neigh[jj]->x-vtx->x;
    edge_vector_y[jj]=vtx->neigh[jj]->y-vtx->y;
    edge_vector_z[jj]=vtx->neigh[jj]->z-vtx->z;
    it=vtx;
    k=vtx->neigh[jj];
    nei=0;
        for(i=0;i<it->neigh_no;i++){ // Finds the nn of it, that is k
            if(it->neigh[i]==k){
                nei=i;
                break;
            }
        }
        neip=nei+1;  // I don't like it.. Smells like I must have it in correct order
        neim=nei-1;
        if(neip>=it->neigh_no) neip=0;
        if((ts_int)neim<0) neim=it->neigh_no-1; /* casting is essential... If not
there the neim is never <0 !!! */
  //  fprintf(stderr,"The numbers are: %u %u\n",neip, neim);
        km=it->neigh[neim];  // We located km and kp
        kp=it->neigh[neip];
        if(km==NULL || kp==NULL){
            fatal("In bondflip, cannot determine km and kp!",999);
        }
   for(i=0;i<it->tristar_no;i++){
        for(j=0;j<k->tristar_no;j++){
            if((it->tristar[i] == k->tristar[j])){ //ce gre za skupen trikotnik
                if((it->tristar[i]->vertex[0] == km || it->tristar[i]->vertex[1]
== km || it->tristar[i]->vertex[2]== km )){
                lm=it->tristar[i];
         //       lmidx=i;
                }
                else
                {
                lp=it->tristar[i];
         //       lpidx=i;
                }
            }
        }
    }
if(lm==NULL || lp==NULL) fatal("ts_flip_bond: Cannot find triangles lm and lp!",999);
/*
    // We find lm and lp from k->tristar !
    cnt=0;
        for(i=0;i<vtx->tristar_no;i++){
@@ -122,18 +170,20 @@
            }
        }
    if(cnt!=2) fatal("ts_energy_vertex: both triangles not found!", 133);
    sumnorm=sqrt( pow((triedge[0]->xnorm + triedge[1]->xnorm),2) + pow((triedge[0]->ynorm + triedge[1]->ynorm), 2) + pow((triedge[0]->znorm + triedge[1]->znorm), 2));
*/
    edge_normal_x[jj]=(triedge[0]->xnorm+ triedge[1]->xnorm)/sumnorm;
    edge_normal_y[jj]=(triedge[0]->ynorm+ triedge[1]->ynorm)/sumnorm;
    edge_normal_z[jj]=(triedge[0]->znorm+ triedge[1]->znorm)/sumnorm;
    sumnorm=sqrt( pow((lm->xnorm + lp->xnorm),2) + pow((lm->ynorm + lp->ynorm), 2) + pow((lm->znorm + lp->znorm), 2));
    edge_normal_x[jj]=(lm->xnorm+ lp->xnorm)/sumnorm;
    edge_normal_y[jj]=(lm->ynorm+ lp->ynorm)/sumnorm;
    edge_normal_z[jj]=(lm->znorm+ lp->znorm)/sumnorm;
    edge_binormal_x[jj]=(edge_normal_y[jj]*edge_vector_z[jj])-(edge_normal_z[jj]*edge_vector_y[jj]);
    edge_binormal_y[jj]=-(edge_normal_x[jj]*edge_vector_z[jj])+(edge_normal_z[jj]*edge_vector_x[jj]);
    edge_binormal_z[jj]=(edge_normal_x[jj]*edge_vector_y[jj])-(edge_normal_y[jj]*edge_vector_x[jj]);
    printf("(%f %f %f); (%f %f %f); (%f %f %f), %d\n", edge_vector_x[jj], edge_vector_y[jj], edge_vector_z[jj], edge_normal_x[jj], edge_normal_y[jj], edge_normal_z[jj], edge_binormal_x[jj], edge_binormal_y[jj], edge_binormal_z[jj],triedge[0]->idx);
    printf("(%f %f %f); (%f %f %f); (%f %f %f)\n", edge_vector_x[jj], edge_vector_y[jj], edge_vector_z[jj], edge_normal_x[jj], edge_normal_y[jj], edge_normal_z[jj], edge_binormal_x[jj], edge_binormal_y[jj], edge_binormal_z[jj]);
    }
    for(i=0; i<vtx->tristar_no; i++){