| | |
| | | #include "bondflip.h" |
| | | #include "frame.h" |
| | | #include "io.h" |
| | | |
| | | ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations){ |
| | | ts_uint i, j; |
| | | |
| | |
| | | ts_bool single_timestep(ts_vesicle *vesicle){ |
| | | ts_bool retval; |
| | | ts_double rnvec[3]; |
| | | ts_uint i; |
| | | ts_uint i,j,b; |
| | | for(i=0;i<vesicle->vlist->n;i++){ |
| | | rnvec[0]=drand48(); |
| | | rnvec[1]=drand48(); |
| | |
| | | } |
| | | |
| | | // ts_int cnt=0; |
| | | for(i=0;i<vesicle->blist->n;i++){ |
| | | rnvec[0]=drand48(); |
| | | for(i=0;i<3*vesicle->vlist->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[i],rnvec); |
| | | 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); |
| | | } |
| | | |
| | | for(i=0;i<vesicle->poly_list->n;i++){ |
| | | for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){ |
| | | rnvec[0]=drand48(); |
| | | rnvec[1]=drand48(); |
| | | rnvec[2]=drand48(); |
| | | retval=single_poly_vertex_move(vesicle,vesicle->poly_list->poly[i],vesicle->poly_list->poly[i]->vlist->vtx[j],rnvec); |
| | | } |
| | | |
| | | } |
| | | |
| | | // printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,3*vesicle->blist->n,(double)cnt/(double)vesicle->blist->n/3.0); |
| | | if(retval); |
| | | return TS_SUCCESS; |
| | | } |