Calculating Kc. Needs debugging.

Samo Penic

2014-04-23 f06f5f9ad1e42a10d6a9367513e66c0c06295de2

 src/timestep.c

@@ -10,13 +10,15 @@
#include "io.h"
#include "stats.h"
#include "sh.h"
#include "shcomplex.h"
#include "vesicle.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;
   ts_uint i, j,k;
   ts_double r0;
   ts_double l1,l2,l3,volume=0.0,area=0.0,vmsr,bfsr, vmsrt, bfsrt;
   ts_ulong epochtime;
   FILE *fd1;
//    char filename[255];
   FILE *fd=fopen("statistics.csv","w");
   if(fd==NULL){
@@ -50,10 +52,23 @@
         r0=getR0(vesicle);
            if(vesicle->sphHarmonics!=NULL){
             preparationSh(vesicle,r0);
             calculateYlmi(vesicle);
             calculateUlm(vesicle);
             storeUlm2(vesicle);
             //calculateYlmi(vesicle);
             calculateUlmComplex(vesicle);
             storeUlmComplex2(vesicle);
             saveAvgUlm2(vesicle);
                calculateKc(vesicle);
            fd1=fopen("state.dat","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(fd, "%lu %u %e %e %1.16e %1.16e %1.16e %1.16e %1.16e\n",epochtime,i,vmsr,bfsr,volume, area,l1,l2,l3);