Code for incremental adding of inclusions done

Samo Penic

2020-04-26 3006183b769f2e126b1a96e6bf697c2b7f657df7

 src/timestep.c

@@ -17,7 +17,7 @@
#include<gsl/gsl_complex_math.h>
#include<string.h>
#include <sys/stat.h>

#include "initial_distribution.h"

ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations, ts_uint start_iteration){
   ts_uint i, j,k; //,l,m;
@@ -75,6 +75,9 @@
   epsvol=4.0*sqrt(2.0*M_PI)/pow(3.0,3.0/4.0)*V0/pow(vesicle->tlist->n,3.0/2.0);
//   printf("epsvol=%e\n",epsvol);
   epsarea=A0/(ts_double)vesicle->tlist->n;
	
   int delta_number_c0=ceil((float)vesicle->tape->number_of_vertices_with_c0/(float)(iterations-1));
   ts_fprintf(stdout, "Adding additional %d inclusions every %d iterations (%d times, total=%d).\n",delta_number_c0, mcsweeps, (vesicle->tape->number_of_vertices_with_c0)/delta_number_c0,(vesicle->tape->number_of_vertices_with_c0/delta_number_c0)*delta_number_c0); 

   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++){
@@ -112,6 +115,11 @@

/*    vesicle_volume(vesicle);
    fprintf(stderr,"Volume before TS=%1.16e\n", vesicle->volume); */

      if(i*delta_number_c0<vesicle->tape->number_of_vertices_with_c0){
         fprintf(stdout, "Adding %d inclusions.\n", delta_number_c0);
         add_vertices_with_c0(vesicle, delta_number_c0, vesicle->tape->c0, vesicle->tape->w);
      }
      for(j=0;j<mcsweeps;j++){
         single_timestep(vesicle, &vmsrt, &bfsrt);
         vmsr+=vmsrt;
@@ -140,45 +148,6 @@
         epochtime=get_epoch();         
         gyration_eigen(vesicle, &l1, &l2, &l3);
         //r0=getR0(vesicle);
/*            if(vesicle->sphHarmonics!=NULL){
             preparationSh(vesicle,r0);
             //calculateYlmi(vesicle);
             calculateUlmComplex(vesicle);
             storeUlmComplex2(vesicle);
             saveAvgUlm2(vesicle);
                kc1=calculateKc(vesicle, 2,9);
                kc2=calculateKc(vesicle, 6,9);
                kc3=calculateKc(vesicle, 2,vesicle->sphHarmonics->l);
                kc4=calculateKc(vesicle, 3,6);

                strcpy(filename,command_line_args.path);
                strcat(filename,"state.dat");  
            fd1=fopen(filename,"w");
            fprintf(fd1,"%e %e\n",vesicle->volume, getR0(vesicle));
            for(k=0;k<vesicle->vlist->n;k++){
               fprintf(fd1,"%e %e %e %e %e\n",
                  vesicle->vlist->vtx[k]->x,
                  vesicle->vlist->vtx[k]->y,
                  vesicle->vlist->vtx[k]->z,
                  vesicle->vlist->vtx[k]->solAngle,
                  vesicle->vlist->vtx[k]->relR
               );
            }
            fclose(fd1);
		
         fprintf(fd2,"%u ", i);
         for(l=0;l<vesicle->sphHarmonics->l;l++){
            for(m=l;m<2*l+1;m++){
               fprintf(fd2,"%e ", gsl_complex_abs2(vesicle->sphHarmonics->ulmComplex[l][m]) );
            }
         }
            fprintf(fd2,"\n");
	
             fflush(fd2);	


            }
*/

         fprintf(fd, "%lu %u %e %e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e\n",epochtime,i,vmsr,bfsr,vesicle->volume, vesicle->area,l1,l2,l3,kc1, kc2, kc3,kc4);