| | |
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| | | ts_double r0,kc1=0,kc2=0,kc3=0,kc4=0; |
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| | | ts_double l1,l2,l3,vmsr,bfsr, vmsrt, bfsrt; |
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| | | ts_ulong epochtime; |
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| | | ts_double max_z,min_z; |
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| | | FILE *fd1,*fd2=NULL,*fd3=NULL; |
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| | | char filename[10000]; |
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| | | //struct stat st; |
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| | |
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| | | fd2=fopen(filename,"w"); |
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| | | else |
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| | | fd2=fopen(filename,"a"); |
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| | | if(fd2==NULL){ |
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| | | fatal("Cannot open ulm2.csv file for writing",1); |
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| | | } |
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| | | if(start_iteration==0) //file does not exist |
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| | | fprintf(fd2, "Timestep u_00^2 u_10^2 u_11^2 u_20^2 ...\n"); |
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| | | |
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| | | if(fd2==NULL){ |
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| | | fatal("Cannot open ulm2.csv file for writing",1); |
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| | | } |
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| | | if(start_iteration==0) //file does not exist |
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| | | fprintf(fd2, "Timestep u_00^2 u_10^2 u_11^2 u_20^2 ...\n"); |
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| | | } |
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| | | |
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| | | /* RANDOM SEED SET BY CURRENT TIME */ |
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| | |
|---|
| | | centermass(vesicle); |
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| | | cell_occupation(vesicle); |
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| | | vesicle_volume(vesicle); //needed for constant volume at this moment |
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| | | vesicle_area(vesicle); //needed for constant area at this moment |
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| | | vesicle_area(vesicle); //needed for constant area at this moment |
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| | | if(V0<0.000001) |
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| | | V0=vesicle->volume; |
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| | | ts_fprintf(stdout,"Setting volume V0=%.17f\n",V0); |
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| | | if(A0<0.000001) |
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| | | A0=vesicle->area; |
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| | | ts_fprintf(stdout,"Setting area A0=%.17f\n",A0); |
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| | | ts_fprintf(stdout,"Setting area A0=%.17f\n",A0); |
|---|
| | | epsvol=4.0*sqrt(2.0*M_PI)/pow(3.0,3.0/4.0)*V0/pow(vesicle->tlist->n,3.0/2.0); |
|---|
| | | epsarea=A0/(ts_double)vesicle->tlist->n; |
|---|
| | | // fprintf(stderr, "DVol=%1.16f (%1.16f), V0=%1.16f\n", epsvol,0.003e-2*V0,V0); |
|---|
| | | epsarea=A0/(ts_double)vesicle->tlist->n; |
|---|
| | | |
|---|
| | | 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; |
|---|
| | | bfsr=0.0; |
|---|
| | | |
|---|
| | | //plane confinement |
|---|
| | | if(vesicle->tape->plane_confinement_switch){ |
|---|
| | | min_z=1e10; |
|---|
| | | max_z=-1e10; |
|---|
| | | for(k=0;k<vesicle->vlist->n;k++){ |
|---|
| | | if(vesicle->vlist->vtx[k]->z > max_z) max_z=vesicle->vlist->vtx[k]->z; |
|---|
| | | if(vesicle->vlist->vtx[k]->z < min_z) min_z=vesicle->vlist->vtx[k]->z; |
|---|
| | | } |
|---|
| | | vesicle->confinement_plane.force_switch=0; |
|---|
| | | if(max_z>=vesicle->tape->plane_d/2.0){ |
|---|
| | | ts_fprintf(stdout, "Max vertex out of bounds (z>=%e). Plane set to max_z = %e.\n",vesicle->tape->plane_d/2.0,max_z); |
|---|
| | | vesicle->confinement_plane.z_max = max_z; |
|---|
| | | vesicle->confinement_plane.force_switch=1; |
|---|
| | | } else { |
|---|
| | | vesicle->confinement_plane.z_max=vesicle->tape->plane_d/2.0; |
|---|
| | | } |
|---|
| | | if(min_z<=-vesicle->tape->plane_d/2.0){ |
|---|
| | | ts_fprintf(stdout, "Min vertex out of bounds (z<=%e). Plane set to min_z = %e.\n",-vesicle->tape->plane_d/2.0,min_z); |
|---|
| | | vesicle->confinement_plane.z_min = min_z; |
|---|
| | | vesicle->confinement_plane.force_switch=1; |
|---|
| | | } else { |
|---|
| | | vesicle->confinement_plane.z_min=-vesicle->tape->plane_d/2.0; |
|---|
| | | } |
|---|
| | | ts_fprintf(stdout,"Vesicle confinement by plane set to (zmin, zmax)=(%e,%e).\n",vesicle->confinement_plane.z_min,vesicle->confinement_plane.z_max); |
|---|
| | | if(vesicle->confinement_plane.force_switch) ts_fprintf(stdout,"Squeezing with force %e.\n",vesicle->tape->plane_F); |
|---|
| | | } |
|---|
| | | |
|---|
| | | //end plane confinement |
|---|
| | | |
|---|
| | | /* vesicle_volume(vesicle); |
|---|
| | | fprintf(stderr,"Volume before TS=%1.16e\n", vesicle->volume); */ |
|---|
| | | for(j=0;j<mcsweeps;j++){ |
|---|
