Trisurf Monte Carlo simulator
Samo Penic
2016-07-05 62b11daa07f943c5ab047049cf2e2803188d467c
src/timestep.c
@@ -60,13 +60,16 @@
/* RANDOM SEED SET BY CURRENT TIME */
   epochtime=get_epoch();         
   srand48(epochtime);
   centermass(vesicle);
   cell_occupation(vesicle);
   vesicle_volume(vesicle); //needed for constant volume at this moment
    vesicle_area(vesicle); //needed for constant area at this moment
   V0=vesicle->volume;
    A0=vesicle->area;
   if(V0<0.000001)
      V0=vesicle->volume;
   ts_fprintf(stdout,"Setting volume V0=%.17f\n",V0);
   if(A0<0.000001)
      A0=vesicle->area;
      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);
@@ -88,14 +91,7 @@
      bfsr/=(ts_double)mcsweeps;
      centermass(vesicle);
      cell_occupation(vesicle);
      ts_fprintf(stdout,"Done %d out of %d iterations (x %d MC sweeps).\n",i+1,inititer+iterations,mcsweeps);
            dump_state(vesicle,i);
      fd3=fopen(".status","w");
      if(fd3==NULL){
         fatal("Cannot open .status file for writing",1);
      }
      fprintf(fd3,"%d",i);
      fclose(fd3);
      if(i>=inititer){
         write_vertex_xml_file(vesicle,i-inititer);
         write_master_xml_file(command_line_args.output_fullfilename);
@@ -146,7 +142,14 @@
          fflush(fd);   
      //   sprintf(filename,"timestep-%05d.pov",i-inititer);
      //   write_pov_file(vesicle,filename);
      } //end if(inititer....)
      fd3=fopen(".status","w"); //write status file when everything is written to disk.
      if(fd3==NULL){
         fatal("Cannot open .status file for writing",1);
      }
      fprintf(fd3,"%d",i);
      fclose(fd3);
      ts_fprintf(stdout,"Done %d out of %d iterations (x %d MC sweeps).\n",i+1,inititer+iterations,mcsweeps);
   }
   fclose(fd);
   if(fd2!=NULL) fclose(fd2);