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| | | ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations, ts_uint start_iteration){ |
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| | | ts_uint i, j,k,l,m; |
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| | | ts_double r0,kc1,kc2,kc3,kc4; |
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| | | ts_double l1,l2,l3,volume=0.0,area=0.0,vmsr,bfsr, vmsrt, bfsrt; |
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| | | ts_double l1,l2,l3,vmsr,bfsr, vmsrt, bfsrt; |
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| | | ts_ulong epochtime; |
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| | | FILE *fd1,*fd2=NULL; |
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| | | char filename[10000]; |
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| | |
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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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| | | V0=vesicle->volume; |
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| | | A0=vesicle->area; |
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| | | epsvol=4.0*sqrt(2.0*M_PI)/pow(3.0,3.0/4.0)*V0/pow(vesicle->tlist->n,3.0/2.0); |
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| | | epsarea=A0/(ts_double)vesicle->tlist->n; |
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| | | // fprintf(stderr, "DVol=%1.16f (%1.16f), V0=%1.16f\n", epsvol,0.003e-2*V0,V0); |
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| | | if(start_iteration<inititer) ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps); |
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| | | for(i=start_iteration;i<inititer+iterations;i++){ |
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| | |
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| | | write_master_xml_file(command_line_args.output_fullfilename); |
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| | | epochtime=get_epoch(); |
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| | | gyration_eigen(vesicle, &l1, &l2, &l3); |
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| | | vesicle_volume(vesicle); //calculates just volume. Area is not added to ts_vesicle yet! |
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| | | get_area_volume(vesicle, &area,&volume); //that's why I must recalculate area (and volume for no particular reason). |
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| | | vesicle_volume(vesicle); //calculates just volume. |
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| | | vesicle_area(vesicle); //calculates area. |
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| | | r0=getR0(vesicle); |
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| | | if(vesicle->sphHarmonics!=NULL){ |
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| | | preparationSh(vesicle,r0); |
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| | |
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| | | |
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| | | } |
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| | | |
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| | | 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); |
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| | | 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,vesicle->volume, vesicle->area,l1,l2,l3,kc1, kc2, kc3,kc4); |
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| | | |
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| | | fflush(fd); |
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| | | // sprintf(filename,"timestep-%05d.pov",i-inititer); |
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