Trisurf Monte Carlo simulator
Samo
2012-07-10 a0f0a3ac3363a9cc058e1de3f64dac2598d9c787
Added source for fast-forward sh
1 files added
112 ■■■■■ changed files
src/spherical_trisurf_ff.c 112 ●●●●● patch | view | raw | blame | history
src/spherical_trisurf_ff.c
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#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);
for(i=0;i<500;i++){
    cell_occupation(vesicle);
    for(j=0;j<1000;j++){
        single_timestep(vesicle);
    }
    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);
    }
    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.
}
ts_bool saveAvgUlm2(ts_vesicle *vesicle){
    FILE *fh;
    fh=fopen("sph2out.dat", "w");
    if(fh==NULL){
        err("Cannot open file %s for writing");
        return TS_FAIL;
    }
    ts_spharm *sph=vesicle->sphHarmonics;
    ts_int i,j;
    fprintf(fh,"l,\tm,\tulm^2avg\n");
    for(i=0;i<sph->l;i++){
            for(j=0;j<2*i+1;j++){
        fprintf(fh,"%d,\t%d,\t%e\n", i, j-i, sph->sumUlm2[i][j]/(ts_double)sph->N);
            }
    fprintf(fh,"\n");
    }
    fclose(fh);
    return TS_SUCCESS;
}