| commit | author | age | ||
| d7639a | 1 | #include<stdlib.h> |
| SP | 2 | #include<stdio.h> |
| aec47d | 3 | #include<math.h> |
| SP | 4 | //#include "io.h" |
| 5 | #include "general.h" | |
| 6 | #include "timestep.h" | |
| 7 | #include "vertexmove.h" | |
| 30ee9c | 8 | #include "bondflip.h" |
| d7a113 | 9 | #include "frame.h" |
| SP | 10 | #include "io.h" |
| fedf2b | 11 | |
| d7a113 | 12 | ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations){ |
| SP | 13 | ts_uint i, j; |
| 14 | ||
| 15 | centermass(vesicle); | |
| 16 | cell_occupation(vesicle); | |
| 17 | ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps); | |
| 18 | for(i=0;i<inititer+iterations;i++){ | |
| 19 | for(j=0;j<mcsweeps;j++){ | |
| 20 | single_timestep(vesicle); | |
| 21 | } | |
| 22 | centermass(vesicle); | |
| 23 | cell_occupation(vesicle); | |
| f8e6ba | 24 | ts_fprintf(stdout,"Done %d out of %d iterations (x %d MC sweeps).\n",i+1,inititer+iterations,mcsweeps); |
| d7a113 | 25 | if(i>inititer){ |
| SP | 26 | write_vertex_xml_file(vesicle,i-inititer); |
| 27 | } | |
| 28 | } | |
| 29 | return TS_SUCCESS; | |
| 30 | } | |
| d7639a | 31 | |
| SP | 32 | ts_bool single_timestep(ts_vesicle *vesicle){ |
| 33 | ts_bool retval; | |
| 34 | ts_double rnvec[3]; | |
| fedf2b | 35 | ts_uint i,j,b; |
| aec47d | 36 | for(i=0;i<vesicle->vlist->n;i++){ |
| d7639a | 37 | rnvec[0]=drand48(); |
| SP | 38 | rnvec[1]=drand48(); |
| 39 | rnvec[2]=drand48(); | |
| aec47d | 40 | retval=single_verticle_timestep(vesicle,vesicle->vlist->vtx[i],rnvec); |
| d7639a | 41 | } |
| SP | 42 | |
| b7c9b3 | 43 | // ts_int cnt=0; |
| fedf2b | 44 | for(i=0;i<3*vesicle->vlist->n;i++){ |
| dcf17d | 45 | //why is rnvec needed in bondflip? |
| SP | 46 | /* rnvec[0]=drand48(); |
| 47 | rnvec[1]=drand48(); | |
| 48 | rnvec[2]=drand48(); | |
| 49 | */ | |
| 142a67 | 50 | b=rand() % vesicle->blist->n; |
| d7639a | 51 | //find a bond and return a pointer to a bond... |
| SP | 52 | //call single_bondflip_timestep... |
| 142a67 | 53 | retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec); |
| b7c9b3 | 54 | // if(retval==TS_SUCCESS) cnt++; |
| fedf2b | 55 | } |
| M | 56 | |
| 57 | for(i=0;i<vesicle->poly_list->n;i++){ | |
| 58 | for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){ | |
| 59 | rnvec[0]=drand48(); | |
| 60 | rnvec[1]=drand48(); | |
| 61 | rnvec[2]=drand48(); | |
| 62 | retval=single_poly_vertex_move(vesicle,vesicle->poly_list->poly[i],vesicle->poly_list->poly[i]->vlist->vtx[j],rnvec); | |
| 63 | } | |
| 64 | ||
| 65 | } | |
| 66 | ||
| 67 | // printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,3*vesicle->blist->n,(double)cnt/(double)vesicle->blist->n/3.0); | |
| 41a035 | 68 | if(retval); |
| d7639a | 69 | return TS_SUCCESS; |
| SP | 70 | } |
| 71 | ||
| 72 | ||
| 73 | ||
