| | |
| | | #include "vesicle.h" |
| | | #include<gsl/gsl_complex.h> |
| | | #include<gsl/gsl_complex_math.h> |
| | | |
| | | #include "cross-section.h" |
| | | |
| | | ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations, ts_uint start_iteration){ |
| | | ts_uint i, j,k,l,m; |
| | |
| | | FILE *fd1,*fd2=NULL; |
| | | // char filename[255]; |
| | | FILE *fd=fopen("statistics.csv","w"); |
| | | |
| | | ts_coord_list *pts; |
| | | if(fd==NULL){ |
| | | fatal("Cannot open statistics.csv file for writing",1); |
| | | } |
| | |
| | | if(i>=inititer){ |
| | | write_vertex_xml_file(vesicle,i-inititer); |
| | | write_master_xml_file("test.pvd"); |
| | | epochtime=get_epoch(); |
| | | epochtime=get_epoch(); |
| | | gyration_eigen(vesicle, &l1, &l2, &l3); |
| | | vesicle_volume(vesicle); //calculates just volume. Area is not added to ts_vesicle yet! |
| | | get_area_volume(vesicle, &area,&volume); //that's why I must recalculate area (and volume for no particular reason). |
| | | r0=getR0(vesicle); |
| | | if(vesicle->sphHarmonics!=NULL){ |
| | | pts=get_crossection_with_plane(vesicle, 0.0,0.0,1.0,0.0); |
| | | save_crossection_snapshot(pts,i-inititer); |
| | | free(pts); |
| | | |
| | | preparationSh(vesicle,r0); |
| | | //calculateYlmi(vesicle); |
| | | calculateUlmComplex(vesicle); |