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#include<stdlib.h> |
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#include<stdio.h> |
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#include<math.h> |
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//#include "io.h" |
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#include "general.h" |
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#include "timestep.h" |
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#include "vertexmove.h" |
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#include "bondflip.h" |
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#include "frame.h" |
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#include "io.h" |
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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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// char filename[255]; |
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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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for(i=start_iteration;i<inititer+iterations;i++){ |
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for(j=0;j<mcsweeps;j++){ |
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single_timestep(vesicle); |
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} |
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centermass(vesicle); |
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cell_occupation(vesicle); |
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ts_fprintf(stdout,"Done %d out of %d iterations (x %d MC sweeps).\n",i+1,inititer+iterations,mcsweeps); |
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dump_state(vesicle,i); |
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if(i>=inititer){ |
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write_vertex_xml_file(vesicle,i-inititer); |
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write_master_xml_file("test.pvd"); |
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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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} |
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return TS_SUCCESS; |
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} |
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ts_bool single_timestep(ts_vesicle *vesicle){ |
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ts_bool retval; |
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ts_double rnvec[3]; |
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ts_uint i,j,b; |
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for(i=0;i<vesicle->vlist->n;i++){ |
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rnvec[0]=drand48(); |
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rnvec[1]=drand48(); |
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rnvec[2]=drand48(); |
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retval=single_verticle_timestep(vesicle,vesicle->vlist->vtx[i],rnvec); |
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} |
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// ts_int cnt=0; |
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for(i=0;i<3*vesicle->vlist->n;i++){ |
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//why is rnvec needed in bondflip? |
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/* rnvec[0]=drand48(); |
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rnvec[1]=drand48(); |
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rnvec[2]=drand48(); |
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*/ |
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b=rand() % vesicle->blist->n; |
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//find a bond and return a pointer to a bond... |
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//call single_bondflip_timestep... |
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retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec); |
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// if(retval==TS_SUCCESS) cnt++; |
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} |
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for(i=0;i<vesicle->poly_list->n;i++){ |
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for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){ |
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rnvec[0]=drand48(); |
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rnvec[1]=drand48(); |
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rnvec[2]=drand48(); |
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retval=single_poly_vertex_move(vesicle,vesicle->poly_list->poly[i],vesicle->poly_list->poly[i]->vlist->vtx[j],rnvec); |
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} |
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} |
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for(i=0;i<vesicle->filament_list->n;i++){ |
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for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){ |
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rnvec[0]=drand48(); |
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rnvec[1]=drand48(); |
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rnvec[2]=drand48(); |
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retval=single_filament_vertex_move(vesicle,vesicle->filament_list->poly[i],vesicle->filament_list->poly[i]->vlist->vtx[j],rnvec); |
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} |
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} |
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// printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,3*vesicle->blist->n,(double)cnt/(double)vesicle->blist->n/3.0); |
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if(retval); |
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return TS_SUCCESS; |
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} |
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