| 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" |
| 01d871 | 11 | #include "gyration.h" |
| fedf2b | 12 | |
| 626811 | 13 | ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations, ts_uint start_iteration){ |
| d7a113 | 14 | ts_uint i, j; |
| 01d871 | 15 | ts_double l1,l2,l3; |
| fe24d2 | 16 | // char filename[255]; |
| d7a113 | 17 | |
| SP | 18 | centermass(vesicle); |
| 19 | cell_occupation(vesicle); | |
| 626811 | 20 | 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 | 21 | for(i=start_iteration;i<inititer+iterations;i++){ |
| d7a113 | 22 | for(j=0;j<mcsweeps;j++){ |
| SP | 23 | single_timestep(vesicle); |
| 24 | } | |
| 25 | centermass(vesicle); | |
| 26 | cell_occupation(vesicle); | |
| 01d871 | 27 | gyration_eigen(vesicle, &l1, &l2, &l3); |
| f8e6ba | 28 | ts_fprintf(stdout,"Done %d out of %d iterations (x %d MC sweeps).\n",i+1,inititer+iterations,mcsweeps); |
| 1ab449 | 29 | dump_state(vesicle,i); |
| 58230a | 30 | if(i>=inititer){ |
| d7a113 | 31 | write_vertex_xml_file(vesicle,i-inititer); |
| fe24d2 | 32 | write_master_xml_file("test.pvd"); |
| M | 33 | |
| 144784 | 34 | // sprintf(filename,"timestep-%05d.pov",i-inititer); |
| fe24d2 | 35 | // write_pov_file(vesicle,filename); |
| d7a113 | 36 | } |
| SP | 37 | } |
| 38 | return TS_SUCCESS; | |
| 39 | } | |
| d7639a | 40 | |
| SP | 41 | ts_bool single_timestep(ts_vesicle *vesicle){ |
| 42 | ts_bool retval; | |
| 43 | ts_double rnvec[3]; | |
| fedf2b | 44 | ts_uint i,j,b; |
| aec47d | 45 | for(i=0;i<vesicle->vlist->n;i++){ |
| d7639a | 46 | rnvec[0]=drand48(); |
| SP | 47 | rnvec[1]=drand48(); |
| 48 | rnvec[2]=drand48(); | |
| aec47d | 49 | retval=single_verticle_timestep(vesicle,vesicle->vlist->vtx[i],rnvec); |
| d7639a | 50 | } |
| SP | 51 | |
| b7c9b3 | 52 | // ts_int cnt=0; |
| fedf2b | 53 | for(i=0;i<3*vesicle->vlist->n;i++){ |
| dcf17d | 54 | //why is rnvec needed in bondflip? |
| SP | 55 | /* rnvec[0]=drand48(); |
| 56 | rnvec[1]=drand48(); | |
| 57 | rnvec[2]=drand48(); | |
| 58 | */ | |
| 142a67 | 59 | b=rand() % vesicle->blist->n; |
| d7639a | 60 | //find a bond and return a pointer to a bond... |
| SP | 61 | //call single_bondflip_timestep... |
| 142a67 | 62 | retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec); |
| b7c9b3 | 63 | // if(retval==TS_SUCCESS) cnt++; |
| fedf2b | 64 | } |
| M | 65 | |
| 66 | for(i=0;i<vesicle->poly_list->n;i++){ | |
| 58230a | 67 | for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){ |
| M | 68 | rnvec[0]=drand48(); |
| 69 | rnvec[1]=drand48(); | |
| 70 | rnvec[2]=drand48(); | |
| 71 | retval=single_poly_vertex_move(vesicle,vesicle->poly_list->poly[i],vesicle->poly_list->poly[i]->vlist->vtx[j],rnvec); | |
| 72 | } | |
| fedf2b | 73 | } |
| M | 74 | |
| 58230a | 75 | |
| M | 76 | for(i=0;i<vesicle->filament_list->n;i++){ |
| 77 | for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){ | |
| 78 | rnvec[0]=drand48(); | |
| 79 | rnvec[1]=drand48(); | |
| 80 | rnvec[2]=drand48(); | |
| 81 | retval=single_filament_vertex_move(vesicle,vesicle->filament_list->poly[i],vesicle->filament_list->poly[i]->vlist->vtx[j],rnvec); | |
| 82 | } | |
| fedf2b | 83 | } |
| M | 84 | |
| 58230a | 85 | |
| fedf2b | 86 | // 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 | 87 | if(retval); |
| d7639a | 88 | return TS_SUCCESS; |
| SP | 89 | } |
| 90 | ||
| 91 | ||
| 92 | ||
