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| | | #include "frame.h" |
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| | | #include "io.h" |
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| | | #include "stats.h" |
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| | | #include "sh.h" |
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| | | #include "vesicle.h" |
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| | | |
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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; |
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| | | ts_double r0; |
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| | | ts_double l1,l2,l3,volume=0.0,area=0.0,vmsr,bfsr, vmsrt, bfsrt; |
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| | | ts_ulong epochtime; |
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| | | // char filename[255]; |
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| | | if(fd==NULL){ |
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| | | fatal("Cannot open statistics.csv file for writing",1); |
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| | | } |
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| | | fprintf(fd, "Epoch OuterLoop VertexMoveSucessRate BondFlipSuccessRate Volume Area lamdba1 lambda2 lmabda3\n"); |
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| | | fprintf(fd, "Epoch OuterLoop VertexMoveSucessRate BondFlipSuccessRate Volume Area lamdba1 lambda2 lambda3\n"); |
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| | | centermass(vesicle); |
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| | | cell_occupation(vesicle); |
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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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| | | write_master_xml_file("test.pvd"); |
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| | | epochtime=get_epoch(); |
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| | | gyration_eigen(vesicle, &l1, &l2, &l3); |
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| | | get_area_volume(vesicle, &area,&volume); |
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| | | fprintf(fd, "%lu %u %e %e %e %e %e %e %e\n",epochtime,i,vmsr,bfsr,volume, area,l1,l2,l3); |
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| | | |
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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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| | | r0=getR0(vesicle); |
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| | | if(vesicle->sphHarmonics!=NULL){ |
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| | | preparationSh(vesicle,r0); |
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| | | calculateYlmi(vesicle); |
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| | | calculateUlm(vesicle); |
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| | | storeUlm2(vesicle); |
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| | | saveAvgUlm2(vesicle); |
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| | | } |
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| | | 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); |
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| | | fflush(fd); |
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| | | // sprintf(filename,"timestep-%05d.pov",i-inititer); |
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| | | // write_pov_file(vesicle,filename); |
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| | | } |
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