Trisurf Monte Carlo simulator
Samo Penic
2015-10-06 6c3bb91fea92c5013507bdf4f5ac49e889e213ff
src/timestep.c
@@ -14,7 +14,7 @@
#include "vesicle.h"
#include<gsl/gsl_complex.h>
#include<gsl/gsl_complex_math.h>
#include "cross-section.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;
@@ -24,6 +24,8 @@
   FILE *fd1,*fd2=NULL;
//    char filename[255];
   FILE *fd=fopen("statistics.csv","w");
   ts_coord_list *pts;
   if(fd==NULL){
      fatal("Cannot open statistics.csv file for writing",1);
   }
@@ -68,12 +70,16 @@
      if(i>=inititer){
         write_vertex_xml_file(vesicle,i-inititer);
         write_master_xml_file("test.pvd");
         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);