Trisurf Monte Carlo simulator
Samo Penic
2015-10-06 6c3bb91fea92c5013507bdf4f5ac49e889e213ff
src/timestep.c
@@ -25,7 +25,6 @@
//    char filename[255];
   FILE *fd=fopen("statistics.csv","w");
   FILE *fdx;
   ts_coord_list *pts;
   if(fd==NULL){
      fatal("Cannot open statistics.csv file for writing",1);
@@ -71,19 +70,16 @@
      if(i>=inititer){
         write_vertex_xml_file(vesicle,i-inititer);
         write_master_xml_file("test.pvd");
         fdx= fopen("test.txt","w");
         pts=get_crossection_with_plane(vesicle, 0.0,0.0,1.0,0.0);
         for(k=0;k<pts->n;k++){
            fprintf(fdx,"%e, %e, %e\n",pts->coord[k]->e1, pts->coord[k]->e2, pts->coord[k]->e3);
         }
         fclose(fdx);
         free(pts);
         epochtime=get_epoch();
               epochtime=get_epoch();
         gyration_eigen(vesicle, &l1, &l2, &l3);
         vesicle_volume(vesicle); //calculates just volume. Area is not added to ts_vesicle yet!
         get_area_volume(vesicle, &area,&volume); //that's why I must recalculate area (and volume for no particular reason).
         r0=getR0(vesicle);
            if(vesicle->sphHarmonics!=NULL){
         pts=get_crossection_with_plane(vesicle, 0.0,0.0,1.0,0.0);
         save_crossection_snapshot(pts,i-inititer);
         free(pts);
             preparationSh(vesicle,r0);
             //calculateYlmi(vesicle);
             calculateUlmComplex(vesicle);