Trisurf Monte Carlo simulator
Samo Penic
2014-03-05 719c9febac2eaff9483fda487b57684afbb59bb2
src/vertexmove.c
@@ -50,8 +50,8 @@
       //distance with neighbours check
    for(i=0;i<vtx->neigh_no;i++){
        dist=vtx_distance_sq(vtx,vtx->neigh[i]);
    for(i=0;i<vtx->neigh->n;i++){
        dist=vtx_distance_sq(vtx,vtx->neigh->vtx[i]);
        if(dist<1.0 || dist>vesicle->dmax) {
      vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
      return TS_FAIL;
@@ -79,8 +79,8 @@
   
 
    //if all the tests are successful, then energy for vtx and neighbours is calculated
   for(i=0;i<vtx->neigh_no;i++){
   memcpy((void *)&backupvtx[i+1],(void *)vtx->neigh[i],sizeof(ts_vertex));
   for(i=0;i<vtx->neigh->n;i++){
   memcpy((void *)&backupvtx[i+1],(void *)vtx->neigh->vtx[i],sizeof(ts_vertex));
   }
@@ -92,10 +92,10 @@
    energy_vertex(vtx);
    delta_energy=vtx->xk*(vtx->energy - oenergy);
    //the same is done for neighbouring vertices
    for(i=0;i<vtx->neigh_no;i++){
        oenergy=vtx->neigh[i]->energy;
        energy_vertex(vtx->neigh[i]);
        delta_energy+=vtx->neigh[i]->xk*(vtx->neigh[i]->energy-oenergy);
    for(i=0;i<vtx->neigh->n;i++){
        oenergy=vtx->neigh->vtx[i]->energy;
        energy_vertex(vtx->neigh->vtx[i]);
        delta_energy+=vtx->neigh->vtx[i]->xk*(vtx->neigh->vtx[i]->energy-oenergy);
    }
/* No poly-bond energy for now!
   if(vtx->grafted_poly!=NULL){
@@ -119,8 +119,8 @@
    {
    //not accepted, reverting changes
   vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
   for(i=0;i<vtx->neigh_no;i++){
      vtx->neigh[i]=memcpy((void *)vtx->neigh[i],(void *)&backupvtx[i+1],sizeof(ts_vertex));
   for(i=0;i<vtx->neigh->n;i++){
      vtx->neigh->vtx[i]=memcpy((void *)vtx->neigh->vtx[i],(void *)&backupvtx[i+1],sizeof(ts_vertex));
   }
   
    //update the normals of triangles that share bead i.