Trisurf Monte Carlo simulator
Samo Penic
2019-03-09 9a1f16ae3affc4db83f2eb2623418ac5cff2af03
src/vertexmove.c
@@ -22,8 +22,7 @@
    ts_uint cellidx; 
    ts_double delta_energy, oenergy;
    ts_double costheta,sintheta,phi,r;
   //This will hold all the information of vtx and its neighbours
    ts_vertex backupvtx[20]; // *constvol_vtx_moved=NULL, *constvol_vtx_backup=NULL;
    ts_vertex backupvtx[20];
    memcpy((void *)&backupvtx[0],(void *)vtx,sizeof(ts_vertex));
    //random move in a sphere with radius stepsize:
@@ -54,7 +53,6 @@
   }
/* Entry point for plugin vm_energy_before_prepare() */
   vesicle->plist->pointer=vesicle->plist->chain->vm_energy_before_prepare;
   while(vesicle->plist->pointer!=NULL){
      vesicle->plist->pointer->plugin->function->vm_energy_before_prepare(vesicle, vtx);
@@ -62,20 +60,19 @@
   }
/* End of vm_energy_before_prepare() */
//update the normals of triangles that share bead i.
    for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
   //update the normals of triangles that share bead i.
   for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
   oenergy=vtx->energy;
    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);
    }
   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);
   }
/* Entry point for plugin vm_energy_after_execute() */
   vesicle->plist->pointer=vesicle->plist->chain->vm_energy_after_execute;
   while(vesicle->plist->pointer!=NULL){
      delta_energy+=vesicle->plist->pointer->plugin->function->vm_energy_after_execute(vesicle, vtx, backupvtx);