| 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" |
| 11 | ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations){ | |
| 12 | ts_uint i, j; | |
| 13 | ||
| 14 | centermass(vesicle); | |
| 15 | cell_occupation(vesicle); | |
| 16 | ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps); | |
| 17 | for(i=0;i<inititer+iterations;i++){ | |
| 18 | for(j=0;j<mcsweeps;j++){ | |
| 19 | single_timestep(vesicle); | |
| 20 | } | |
| 21 | centermass(vesicle); | |
| 22 | cell_occupation(vesicle); | |
| 23 | if(i>inititer){ | |
| 24 | write_vertex_xml_file(vesicle,i-inititer); | |
| 25 | } | |
| 26 | } | |
| 27 | return TS_SUCCESS; | |
| 28 | } | |
| d7639a | 29 | |
| SP | 30 | ts_bool single_timestep(ts_vesicle *vesicle){ |
| 31 | ts_bool retval; | |
| 32 | ts_double rnvec[3]; | |
| ded11e | 33 | ts_uint i, b; |
| aec47d | 34 | for(i=0;i<vesicle->vlist->n;i++){ |
| d7639a | 35 | rnvec[0]=drand48(); |
| SP | 36 | rnvec[1]=drand48(); |
| 37 | rnvec[2]=drand48(); | |
| aec47d | 38 | retval=single_verticle_timestep(vesicle,vesicle->vlist->vtx[i],rnvec); |
| d7639a | 39 | } |
| SP | 40 | |
| b7c9b3 | 41 | // ts_int cnt=0; |
| 142a67 | 42 | for(i=0;i<vesicle->vlist->n;i++){ |
| dcf17d | 43 | //why is rnvec needed in bondflip? |
| SP | 44 | /* rnvec[0]=drand48(); |
| 45 | rnvec[1]=drand48(); | |
| 46 | rnvec[2]=drand48(); | |
| 47 | */ | |
| ded11e | 48 | b=rand() % vesicle->blist->n; |
| d7639a | 49 | //find a bond and return a pointer to a bond... |
| SP | 50 | //call single_bondflip_timestep... |
| ded11e | 51 | retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec); |
| b7c9b3 | 52 | // if(retval==TS_SUCCESS) cnt++; |
| d7639a | 53 | } |
| b7c9b3 | 54 | // printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,vesicle->blist->n,(double)cnt/(double)vesicle->blist->n); |
| 41a035 | 55 | if(retval); |
| d7639a | 56 | return TS_SUCCESS; |
| SP | 57 | } |
| 58 | ||
| 59 | ||
| 60 | ||
