Trisurf Monte Carlo simulator
Samo Penic
2016-07-13 82a8abcddd62838bfcd06b6081042caf4d385a88
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/* vim: set ts=4 sts=4 sw=4 noet : */
#include<stdio.h>
#include<math.h>
#include "general.h"
#include "vertex.h"
#include "bond.h"
#include "triangle.h"
#include "cell.h"
#include "vesicle.h"
#include "io.h"
#include "initial_distribution.h"
#include "frame.h"
#include "timestep.h"
#include "sh.h"
 
/** Entrance function to the program
  * @param argv is a number of parameters used in program call (including the program name
  * @param argc is a pointer to strings (character arrays) which holds the arguments
  * @returns returns 0 on success, any other number on fail.
*/
ts_bool saveAvgUlm2(ts_vesicle *vesicle);
int main(int argv, char *argc[]){
ts_uint i,j;
ts_vesicle *vesicle;
ts_double r0;
vesicle=initial_distribution_dipyramid(17,60,60,60,0.15);
//parsetape(vesicle,&i);
 
//these four must come from parsetype!
vesicle->dmax=1.67*1.67;
vesicle->stepsize=0.15;
vesicle->clist->max_occupancy=8;
vesicle->bending_rigidity=30.0*30.0;
for(i=0;i<vesicle->vlist->n;i++){
    vesicle->vlist->vtx[i]->xk=vesicle->bending_rigidity;
}
//fprintf(stderr,"xk=%f",vesicle->bending_rigidity);
 
    centermass(vesicle);
vesicle->sphHarmonics=sph_init(vesicle->vlist, 21);
 
vesicle_volume(vesicle);
r0=getR0(vesicle);
 
preparationSh(vesicle,r0);
calculateYlmi(vesicle);
calculateUlm(vesicle);
ts_double vmsr,bfsr;
for(i=0;i<500;i++){
    cell_occupation(vesicle);
    for(j=0;j<1000;j++){
        single_timestep(vesicle,&vmsr,&bfsr);
    }    
    centermass(vesicle);
    fprintf(stderr, "Preloop %d completed.\n",i+1);
}
 
vesicle->bending_rigidity=25.0;
for(i=0;i<vesicle->vlist->n;i++){
    vesicle->vlist->vtx[i]->xk=vesicle->bending_rigidity;
}
 
 
for(i=0;i<10000;i++){
    cell_occupation(vesicle);
    for(j=0;j<1000;j++){
        single_timestep(vesicle,&vmsr,&bfsr);
    }    
    centermass(vesicle);
    vesicle_volume(vesicle);
    r0=getR0(vesicle);
 
    preparationSh(vesicle,r0);
    calculateYlmi(vesicle);
    calculateUlm(vesicle);
 
    storeUlm2(vesicle);
    saveAvgUlm2(vesicle);
 
    write_vertex_xml_file(vesicle,i);
    fprintf(stderr, "Loop %d completed.\n",i+1);
}
write_master_xml_file("test.pvd");
write_dout_fcompat_file(vesicle,"dout");
vesicle_free(vesicle);
 
return 0; //program finished perfectly ok. We return 0.
}