Changes in plates movement

Samo Penic

2018-10-11 b4e2e6dbd5049ae279f0f74838cd21b625148c72

 src/timestep.c

@@ -24,7 +24,7 @@
   ts_double r0,kc1=0,kc2=0,kc3=0,kc4=0;
   ts_double l1,l2,l3,vmsr,bfsr, vmsrt, bfsrt;
   ts_ulong epochtime;
   ts_double max_z, min_z;
   ts_double max_z=0, min_z=0, cm_backup[3];
   FILE *fd1,*fd2=NULL,*fd3=NULL;
    char filename[10000];
   //struct stat st;
@@ -72,20 +72,10 @@
   ts_fprintf(stdout,"Setting area A0=%.17f\n",A0);
   epsvol=4.0*sqrt(2.0*M_PI)/pow(3.0,3.0/4.0)*V0/pow(vesicle->tlist->n,3.0/2.0);
    epsarea=A0/(ts_double)vesicle->tlist->n;


  //  fprintf(stderr, "DVol=%1.16f (%1.16f), V0=%1.16f\n", epsvol,0.003e-2*V0,V0);
   if(start_iteration<inititer) ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps);
   for(i=start_iteration;i<inititer+iterations;i++){
      vmsr=0.0;
      bfsr=0.0;

      // plane confinement
      if(vesicle->tape->plane_confinement_switch){
         if(vesicle->confinement_plane.z_max-vesicle->confinement_plane.z_min<=vesicle->tape->plane_d){
   if(vesicle->tape->plane_confinement_switch){
            min_z=1e10;
            max_z=-1e10;
            for(k=0;k<vesicle->vlist->n;k++){
      for(k=0;k<vesicle->vlist->n;k++){
               if(vesicle->vlist->vtx[k]->z > max_z) max_z=vesicle->vlist->vtx[k]->z;
               if(vesicle->vlist->vtx[k]->z < min_z) min_z=vesicle->vlist->vtx[k]->z;
            }
@@ -93,11 +83,17 @@
               vesicle->confinement_plane.z_max=max_z;
               vesicle->confinement_plane.z_min=max_z-vesicle->tape->plane_d;
            }  else {
               vesicle->confinement_plane.z_min=min_z-1e-5;
               vesicle->confinement_plane.z_max=max_z+1e-5;
               vesicle->confinement_plane.z_min=min_z;//-1e-5;
               vesicle->confinement_plane.z_max=max_z;//+1e-5;
            }
         }	
      }
   }

  //  fprintf(stderr, "DVol=%1.16f (%1.16f), V0=%1.16f\n", epsvol,0.003e-2*V0,V0);
   if(start_iteration<inititer) ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps);
   for(i=start_iteration;i<inititer+iterations;i++){
      vmsr=0.0;
      bfsr=0.0;


/*    vesicle_volume(vesicle);
    fprintf(stderr,"Volume before TS=%1.16e\n", vesicle->volume); */
@@ -111,8 +107,38 @@
    fprintf(stderr,"Volume after TS=%1.16e\n", vesicle->volume); */
      vmsr/=(ts_double)mcsweeps;
      bfsr/=(ts_double)mcsweeps;
      for (k=0;k<3;k++) cm_backup[k]=vesicle->cm[k];

      centermass(vesicle);
      cell_occupation(vesicle);

      // plane confinement
      if(vesicle->tape->plane_confinement_switch){
         if(vesicle->confinement_plane.z_max-vesicle->confinement_plane.z_min<=vesicle->tape->plane_d){
            ts_fprintf(stdout,"Force is off\n");
         } else {
            ts_fprintf(stdout,"Force is on\n");
			
            min_z=1e10;
            max_z=-1e10;
            for(k=0;k<vesicle->vlist->n;k++){
               if(vesicle->vlist->vtx[k]->z > max_z) max_z=vesicle->vlist->vtx[k]->z;
               if(vesicle->vlist->vtx[k]->z < min_z) min_z=vesicle->vlist->vtx[k]->z;
            }
            if(max_z-min_z<=vesicle->tape->plane_d) {
               vesicle->confinement_plane.z_max+=(vesicle->cm[2]-cm_backup[2]);	
               vesicle->confinement_plane.z_min+=(vesicle->cm[2]-cm_backup[2]);
               //vesicle->confinement_plane.z_max=max_z;
               //vesicle->confinement_plane.z_min=max_z-vesicle->tape->plane_d;
            }  else {
               vesicle->confinement_plane.z_min=min_z;//-1e-5;
               vesicle->confinement_plane.z_max=max_z;//+1e-5;
            }
         }
         ts_fprintf(stdout,"Planes (zmin, zmax)=(%e,%e)\n",vesicle->confinement_plane.z_min,vesicle->confinement_plane.z_max);	
      }
      // end plane confinement

            dump_state(vesicle,i);
      if(i>=inititer){
         write_vertex_xml_file(vesicle,i-inititer,NULL);