| | |
|---|
| | | #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,k; |
|---|
| | | ts_double r0; |
|---|
| | | ts_double r0,kc1,kc2,kc3,kc4; |
|---|
| | | ts_double l1,l2,l3,volume=0.0,area=0.0,vmsr,bfsr, vmsrt, bfsrt; |
|---|
| | | ts_ulong epochtime; |
|---|
| | | FILE *fd1; |
|---|
| | |
|---|
| | | if(fd==NULL){ |
|---|
| | | fatal("Cannot open statistics.csv file for writing",1); |
|---|
| | | } |
|---|
| | | fprintf(fd, "Epoch OuterLoop VertexMoveSucessRate BondFlipSuccessRate Volume Area lamdba1 lambda2 lambda3\n"); |
|---|
| | | fprintf(fd, "Epoch OuterLoop VertexMoveSucessRate BondFlipSuccessRate Volume Area lamdba1 lambda2 lambda3 Kc(2-9) Kc(6-9) Kc(2-end) Kc(3-6)\n"); |
|---|
| | | centermass(vesicle); |
|---|
| | | cell_occupation(vesicle); |
|---|
| | | vesicle_volume(vesicle); //needed for constant volume at this moment |
|---|
| | | 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++){ |
|---|
| | | vmsr=0.0; |
|---|
| | |
|---|
| | | r0=getR0(vesicle); |
|---|
| | | if(vesicle->sphHarmonics!=NULL){ |
|---|
| | | preparationSh(vesicle,r0); |
|---|
| | | calculateYlmi(vesicle); |
|---|
| | | calculateUlm(vesicle); |
|---|
| | | storeUlm2(vesicle); |
|---|
| | | //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); |
|---|
| | | |
|---|
| | | fd1=fopen("state.dat","w"); |
|---|
| | | fprintf(fd1,"%e %e\n",vesicle->volume, getR0(vesicle)); |
|---|
| | | for(k=0;k<vesicle->vlist->n;k++){ |
|---|
| | |
|---|
| | | 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); |
|---|
| | | 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,volume, area,l1,l2,l3,kc1, kc2, kc3,kc4); |
|---|
| | | fflush(fd); |
|---|
| | | // sprintf(filename,"timestep-%05d.pov",i-inititer); |
|---|
| | | // write_pov_file(vesicle,filename); |
|---|
| | |
|---|
| | | ts_bool single_timestep(ts_vesicle *vesicle,ts_double *vmsr, ts_double *bfsr){ |
|---|
| | | ts_bool retval; |
|---|
| | | ts_double rnvec[3]; |
|---|
| | | ts_uint i,j,b; |
|---|
| | | ts_uint i,j, b; |
|---|
| | | ts_uint vmsrcnt=0; |
|---|
| | | for(i=0;i<vesicle->vlist->n;i++){ |
|---|
| | | rnvec[0]=drand48(); |
|---|
