#include #include #include //#include "io.h" #include "general.h" #include "timestep.h" #include "vertexmove.h" #include "bondflip.h" #include "frame.h" #include "vertex.h" #include "io.h" ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations){ ts_uint i, j; centermass(vesicle); cell_occupation(vesicle); ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps); for(i=0;iinititer){ write_vertex_xml_file(vesicle,i-inititer); } } return TS_SUCCESS; } ts_bool single_timestep(ts_vesicle *vesicle){ ts_bool retval; ts_double rnvec[3]; ts_uint i, b; for(i=0;ivlist->n;i++){ rnvec[0]=drand48(); rnvec[1]=drand48(); rnvec[2]=drand48(); vertex_taint(vesicle->vlist->vtx[i],1); // ts_fprintf(stdout, "Vertex %d should be tainted, level=%d.\n", i, vesicle->vlist->vtx[i]->locked); if(vertex_tainted(vesicle->vlist->vtx[i],1,1)){ ts_fprintf(stdout, "Vertex %d tainted, level=%d. Waiting....\n", i, vesicle->vlist->vtx[i]->locked); while(vertex_tainted(vesicle->vlist->vtx[i],1,1)); } retval=single_verticle_timestep(vesicle,vesicle->vlist->vtx[i],rnvec); vertex_untaint(vesicle->vlist->vtx[i],1); // ts_fprintf(stdout, "Vertex %d should be untainted, level=%d.\n", i, vesicle->vlist->vtx[i]->locked); } // ts_int cnt=0; for(i=0;ivlist->n;i++){ //why is rnvec needed in bondflip? /* rnvec[0]=drand48(); rnvec[1]=drand48(); rnvec[2]=drand48(); */ b=rand() % vesicle->blist->n; //find a bond and return a pointer to a bond... //call single_bondflip_timestep... retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec); // if(retval==TS_SUCCESS) cnt++; } // printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,vesicle->blist->n,(double)cnt/(double)vesicle->blist->n); if(retval); return TS_SUCCESS; }