| 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 | |
| 626811 | 12 | ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations, ts_uint start_iteration){ |
| d7a113 | 13 | ts_uint i, j; |
| fe24d2 | 14 | // char filename[255]; |
| d7a113 | 15 | |
| SP | 16 | centermass(vesicle); |
| 17 | cell_occupation(vesicle); | |
| 626811 | 18 | if(start_iteration<inititer) ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps); |
| SP | 19 | for(i=start_iteration;i<inititer+iterations;i++){ |
| d7a113 | 20 | for(j=0;j<mcsweeps;j++){ |
| SP | 21 | single_timestep(vesicle); |
| 22 | } | |
| 23 | centermass(vesicle); | |
| 24 | cell_occupation(vesicle); | |
| f8e6ba | 25 | ts_fprintf(stdout,"Done %d out of %d iterations (x %d MC sweeps).\n",i+1,inititer+iterations,mcsweeps); |
| 1ab449 | 26 | dump_state(vesicle,i); |
| 58230a | 27 | if(i>=inititer){ |
| d7a113 | 28 | write_vertex_xml_file(vesicle,i-inititer); |
| fe24d2 | 29 | write_master_xml_file("test.pvd"); |
| M | 30 | |
| 144784 | 31 | // sprintf(filename,"timestep-%05d.pov",i-inititer); |
| fe24d2 | 32 | // write_pov_file(vesicle,filename); |
| d7a113 | 33 | } |
| SP | 34 | } |
| 35 | return TS_SUCCESS; | |
| 36 | } | |
| d7639a | 37 | |
| SP | 38 | ts_bool single_timestep(ts_vesicle *vesicle){ |
| 39 | ts_bool retval; | |
| 40 | ts_double rnvec[3]; | |
| fedf2b | 41 | ts_uint i,j,b; |
| aec47d | 42 | for(i=0;i<vesicle->vlist->n;i++){ |
| d7639a | 43 | rnvec[0]=drand48(); |
| SP | 44 | rnvec[1]=drand48(); |
| 45 | rnvec[2]=drand48(); | |
| aec47d | 46 | retval=single_verticle_timestep(vesicle,vesicle->vlist->vtx[i],rnvec); |
| d7639a | 47 | } |
| SP | 48 | |
| b7c9b3 | 49 | // ts_int cnt=0; |
| fedf2b | 50 | for(i=0;i<3*vesicle->vlist->n;i++){ |
| dcf17d | 51 | //why is rnvec needed in bondflip? |
| SP | 52 | /* rnvec[0]=drand48(); |
| 53 | rnvec[1]=drand48(); | |
| 54 | rnvec[2]=drand48(); | |
| 55 | */ | |
| 142a67 | 56 | b=rand() % vesicle->blist->n; |
| d7639a | 57 | //find a bond and return a pointer to a bond... |
| SP | 58 | //call single_bondflip_timestep... |
| 142a67 | 59 | retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec); |
| b7c9b3 | 60 | // if(retval==TS_SUCCESS) cnt++; |
| fedf2b | 61 | } |
| M | 62 | |
| 63 | for(i=0;i<vesicle->poly_list->n;i++){ | |
| 58230a | 64 | for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){ |
| M | 65 | rnvec[0]=drand48(); |
| 66 | rnvec[1]=drand48(); | |
| 67 | rnvec[2]=drand48(); | |
| 68 | retval=single_poly_vertex_move(vesicle,vesicle->poly_list->poly[i],vesicle->poly_list->poly[i]->vlist->vtx[j],rnvec); | |
| 69 | } | |
| fedf2b | 70 | } |
| M | 71 | |
| 58230a | 72 | |
| M | 73 | for(i=0;i<vesicle->filament_list->n;i++){ |
| 74 | for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){ | |
| 75 | rnvec[0]=drand48(); | |
| 76 | rnvec[1]=drand48(); | |
| 77 | rnvec[2]=drand48(); | |
| 78 | retval=single_filament_vertex_move(vesicle,vesicle->filament_list->poly[i],vesicle->filament_list->poly[i]->vlist->vtx[j],rnvec); | |
| 79 | } | |
| fedf2b | 80 | } |
| M | 81 | |
| 58230a | 82 | |
| fedf2b | 83 | // 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 | 84 | if(retval); |
| d7639a | 85 | return TS_SUCCESS; |
| SP | 86 | } |
| 87 | ||
| 88 | ||
| 89 | ||
