#include #include #include #include #include #include // handling control-backslash #include static int keepRunning = 1; void intHandler(int sig) { keepRunning = 0; } #ifdef READLINE #include #include #endif #define noDEBUG #define fVISDEBUG // linked lists typedef struct _node { int v; struct _node * next; } node; typedef struct { double m; double x, y; double vx, vy; double fx, fy; int cell; } particle; typedef struct { int N; particle *p; double LX, LY; double deltat, deltat2; double gravity; double cell_size; node ** cell; int Mx, My; double rc; // truncation of potential, normally 2.5 double rc2; // rc^2 double shift; // V(rc) } simulation; simulation * new_simulation(int N, double LX, double LY, double gravity, double deltat, double cell_size, double rc); void evolve(simulation *s, double *energy, double *K); void random_init(simulation *s, double temp); void visualize(FILE * gp, simulation * s, char * title); double compute_energy(simulation *s); int save(simulation *s, char * filename); simulation * load(char * filename); void destroy_simulation(simulation * s); void increment_temperature(simulation * s, double deltaT); void init_visualize(FILE *gp, simulation * s); int main() { int t, T; simulation *s; FILE * gp; double temp; int VIS; double energy, K; double deltat; double LX, LY; int i, N; char str[100]; char filename[100]; double deltaT; char title[100]; clock_t start, end; double cpu_time_used; double gravity; double cell_size; double rc; T = 1000000; VIS = 1000; temp = 1; // temperature deltat = 0.0001; LX=100; LY=100; cell_size = 2.5; rc = 2.5; N=100; deltaT = 0; gravity = 0; s=NULL; // handling control-backslash struct sigaction act; act.sa_handler = intHandler; sigaction(SIGQUIT, &act, NULL); gp = popen("gnuplot", "w"); // initial conditions srand48(time(NULL)); for (;;) { printf("\nMake your choice (character [+ parameters]):\n"); printf("\nDefaults: N=%d LX=%f LY=%f deltat=%f \n", N, LX, LY, deltat); printf("deltaT=%g gravity=%g temp=%f T=%d VIS=%d\n", deltaT, gravity, temp, T, VIS); printf("?: Help\n"); printf("I: Random init (N LX LY deltat temp)\n"); printf("L: Load simulation (file)\n"); printf("S: Save simulation (file)\n"); printf("R: Run simulation (steps)\n"); printf("V: Set visualization intervals (steps)\n"); printf("T: Set temperature change (deltaT)\n"); printf("G: Set gravity (g)\n"); printf("Q: Quit\n"); printf("\n"); #ifdef READLINE char * tmp; tmp = readline("# "); add_history(tmp); strcpy(str,tmp); free(tmp); #else printf("> "); fgets(str, 100, stdin); str[strcspn(str, "\n")]='\0'; // remove trailing newlines #endif i = 0; while(isblank(str[i])) i++; // skip initial blanks switch(toupper(str[i++])) { case '?': printf("help is missing\n"); break; case 'I': sscanf(str+i, "%d %lf %lf %lf %lf", &N, &LX, &LY, &deltat, &temp); printf("Random init N=%d LX=%f LY=%f delta=%f temp=%f\n", N, LX, LY, deltat,temp); if (s) destroy_simulation(s); s = new_simulation(N,LX,LY, gravity,deltat, cell_size, rc); init_visualize(gp, s); random_init(s, temp); visualize(gp, s, "init"); break; case 'L': while(isblank(str[i])) i++; // skip blanks sscanf(str+i, "%s", filename); printf("Loading from file '%s'\n", filename); s = load(filename); init_visualize(gp, s); printf("%d particles, LX=%lf, LY=%lf, deltat=%lf\n", s->N, s->LX, s->LY, s->deltat); break; case 'S': if (!s) { printf("Simulation is not initialized\n"); break; } while(isblank(str[i])) i++; // skip blanks sscanf(str+i, "%s", filename); printf("Saving to file '%s'\n", filename); save(s,filename); break; case 'R': if (!s) { printf("Simulation is not initialized\n"); break; } sscanf(str+i, "%d", &T); T = abs(T); printf("Running for %d steps\n", T); start = clock(); keepRunning = 1; for (t=0; t1e-2) { printf("|deltaT| should be less than 1E-2\n"); break; } printf("Setting relative change of kinetic energy deltaT=%f\n", deltaT); break; case 'G': sscanf(str+i, "%lf", &gravity); gravity = fabs(gravity); if (gravity > 1) { printf("|gravity| should be less than 1\n"); break; } s->gravity = gravity; printf("Setting gravity to %f\n", gravity); break; case 'Q': printf("Are you sure [Y/N]\n"); fgets(str, 100, stdin); i=0; while(isblank(str[i])) i++; // skip initial blanks if (toupper(str[i])=='Y') exit(0); break; default: printf("Choice not present\n"); break; } } } // linked lists void push(node ** pstart, int v); void print_ll(node * pstart); int pop(node ** pstart); node * remove_ll(node ** pstart); void empty_ll(node ** pstart); void find_remove(node ** pstart, int v); double thre = 0.2; // minimal distance for initial conf void random_init(simulation * s, double temp) { int i,j; for (i=0; i < s->N; i++) { double x, y, r2; int flag; s->p[i].m = 1; s->p[i].vx = temp * (2* drand48() - 1); s->p[i].vy = temp * (2* drand48() - 1); do { flag = 0; x = s->LX * drand48(); y = s->LY * drand48(); for (j=0; jp[j].x)*(x - s->p[j].x) + (y - s->p[j].y)*(y - s->p[j].y); if (r2 < thre) { flag = 1; break; } } } while (flag == 1); s->p[i].x = x; s->p[i].y = y; // inserisco le particelle nelle celle (se cambiate) int ix, iy, k; ix = (int) (s->p[i].x / s->cell_size); iy = (int) (s->p[i].y / s->cell_size); k = iy * s->Mx + ix; // numero cella push(s->cell + k, i); // si inserisce nella nuova ll s->p[i].cell=k; // memorizzo la cella nella struttura. } #ifdef DEBUG printf("\ncells:\n"); int ci, ix, iy; node * ni; for (ci=0; ci< s->Mx*s->My; ci++) { ix = ci % s->Mx; // recupero gli indici x, y della cella iy = ci / s->Mx; printf("cell[%d] (%d %d): ", ci, ix, iy); for (ni = s->cell[ci]; ni != NULL; ni=ni->next) { printf("part[%d] ", ni->v); } printf("\n"); } #endif } node * new_node(int v) { node * x; x = calloc(1, sizeof(node)); x->v = v; x->next = NULL; return (x); } void push(node ** pstart, int v) { node * x; x = new_node(v); x->next = * pstart; * pstart = x; } void empty_ll(node ** pstart) { while (remove_ll(pstart)); } node * remove_ll(node ** pstart) { node * temp; if (*pstart == NULL) { return(NULL); } temp = *pstart; *pstart = (*pstart)->next; free(temp); return(*pstart); } int pop(node ** pstart) { node * temp; if (*pstart == NULL) { printf("error! empty stack!\n"); return(-1); } int v = (*pstart)->v; temp = *pstart; *pstart = (*pstart)->next; free(temp); return(v); } void find_remove(node ** pstart, int v) { node * temp; // find if (*pstart == NULL) { printf("error! empty stack!\n"); } while ((*pstart)->v != v) { pstart = &((*pstart)->next); if (*pstart == NULL) { printf("error! not found!\n"); } } // remove temp = *pstart; *pstart = (*pstart)->next; free(temp); } void print_ll(node * start) { while (start != NULL) { printf("%d\n", start->v); start = start->next; } } simulation * new_simulation(int N, double LX, double LY, double gravity, double deltat, double cell_size, double rc) { simulation *s; s=calloc(1, sizeof(simulation)); s->N = N; s->LX = LX; s->LY = LY; s->deltat = deltat; s->deltat2=deltat*deltat; s->p = calloc(N, sizeof(particle)); s->Mx = ((int) (LX/cell_size)) + 1; // for half-cells s->My = ((int) (LY/cell_size)) + 1; s->cell=calloc(s->Mx * s->My, sizeof(node *)); // vedi evolve s->cell_size = cell_size; s->rc = rc; s->rc2 = s->rc*s->rc; s->shift = 4*pow(rc, -6)*(pow(rc, -6)-1); //printf("rc=%f cell_size=%f Mx=%d My=%d, shift=%g\n", s->rc, s->cell_size, s->Mx, s->My, s->shift); return (s); } void destroy_simulation(simulation *s) { free(s->p); free(s->cell); free(s); } double compute_energy(simulation *s) { int i, j; double energy; double rx, ry, r2, rm2, rm6; energy = 0; for (i=0; iN-1; i++) { // loop su metà delle particelle for (j=i+1; jN; j++) { rx = s->p[j].x - s->p[i].x; ry = s->p[j].y - s->p[i].y; r2 = rx*rx+ry*ry; rm2 = 1/r2; rm6 = rm2*rm2*rm2; energy += 4*rm6*(rm6-1) - s->shift; } energy += 0.5*s->p[i].m * (s->p[i].vx*s->p[i].vx + s->p[i].vy*s->p[i].vy); } return(energy); } int Delta[][2]= {{0,0}, {1,0}, {1,1}, {0,1}, {-1,1}}; // celle vicine void evolve(simulation *s, double *energy, double *K) { int i, j; double rx, ry, r2, rm2, rm6, ff; *energy = *K = 0; //avanzo le posizioni for (i=0; iN; i++) { s->p[i].x += s->p[i].vx * s->deltat + 0.5*s->p[i].fx * s->deltat2 / s->p[i].m; s->p[i].y += s->p[i].vy * s->deltat + 0.5*s->p[i].fy * s->deltat2 / s->p[i].m; // condizioni al bordo if (s->p[i].x < 0) { s->p[i].x *= -1; s->p[i].vx *= -1; } if (s->p[i].y < 0) { s->p[i].y *= -1; s->p[i].vy *= -1; } if (s->p[i].x > s->LX) { s->p[i].x = 2 * s->LX - s->p[i].x; s->p[i].vx *= -1; } if (s->p[i].y > s->LX) { s->p[i].y = 2 * s->LY - s->p[i].y; s->p[i].vy *= -1; } } // inserisco le particelle nelle celle (se cambiate) for (i=0; i< s->N; i++) { int ix, iy, k; ix = (int) (s->p[i].x / s->cell_size); iy = (int) (s->p[i].y / s->cell_size); k = iy * s->Mx + ix; // numero cella if (k != s->p[i].cell) { find_remove(s->cell + s->p[i].cell, i); // si rimuove dalla ll push(s->cell + k, i); // si inserisce nella nuova ll s->p[i].cell=k; // memorizzo la cella nella struttura. } } // prima metà della velocità for (i=0; iN; i++) { s->p[i].vx += 0.5 * s->p[i].fx*s->deltat/s->p[i].m; s->p[i].vy += 0.5 * s->p[i].fy*s->deltat/s->p[i].m; s->p[i].fx = 0; s->p[i].fy = 0; } //calcolo delle forze // tanto vale procedere per celle int ii, ix, iy, jx, jy, ci, cj; node * ni, *nj; #ifdef DEBUG printf("\ncells:\n"); for (ci=0; ci< s->Mx*s->My; ci++) { ix = ci % s->Mx; // recupero gli indici x, y della cella iy = ci / s->Mx; printf("cell[%d] (%d %d): ", ci, ix, iy); for (ni = s->cell[ci]; ni != NULL; ni=ni->next) { printf("part[%d] ", ni->v); } printf("\n"); } printf("\nneighbors:\n"); for (i=0; iN; i++) { ci = s->p[i].cell; ix = ci % s->Mx; // recupero gli indici x, y della cella iy = ci / s->Mx; printf("part[%d] (%d: %d %d): ", i, ci, ix, iy); for (jx=ix-1; jx<=ix+1; jx++) { // loop sulle celle adiacienti for (jy=iy-1; jy<=iy+1; jy++) { if (jx >=0 && jx < s->Mx && jy >=0 && jy < s->My) { cj = jy * s->Mx + jx; // indice cella for (nj = s->cell[cj]; nj != NULL; nj=nj->next) { j = nj->v; // indice particella printf("%d (%d: %d %d) ", j, cj, jx, jy); } } } } printf("\n"); } getchar(); printf("\nInteractions:\n"); #endif for (ix=0; ix < s->Mx; ix++) { for (iy=0; iy < s->My; iy++) { ci = iy * s->Mx + ix; for (ii=0; ii<5; ii++) { // loop su "meta" celle adiacienti jx = ix + Delta[ii][0]; jy = iy + Delta[ii][1]; if (jx >=0 && jx < s->Mx && jy >=0 && jy < s->My) { cj = jy * s->Mx + jx; // indice cella // questa è la parte che cambia for (ni = s->cell[ci]; ni != NULL; ni=ni->next) { i = ni->v; // indice prima particella for (nj = s->cell[cj]; nj != NULL; nj=nj->next) { j = nj->v; // indice seconda particella // fine cambiamento if (!(ii==0 && j <= i)) { // loop su metà delle particelle della cella 0 #ifdef DEBUG printf("interaction (ii=%d ix=%d iy=%d - %d [%d %d]) %d - %d\n", ii,ix,iy, jy*s->Mx+jx, jx,jy, i, j); getchar(); #endif rx = s->p[j].x - s->p[i].x; ry = s->p[j].y - s->p[i].y; r2 = rx*rx+ry*ry; if (r2 < s->rc2) { rm2 = 1/r2; rm6 = rm2*rm2*rm2; ff = -24*rm6*(2*rm6-1)*rm2; s->p[i].fx += ff * rx; s->p[i].fy += ff * ry; s->p[j].fx -= ff * rx; s->p[j].fy -= ff * ry; *energy += 4*rm6*(rm6-1) - s->shift; } } } } } } } } // gravity if (s->gravity > 0) { for (i=0; iN; i++) { s->p[i].fy -= s->gravity * s->p[i].m; } } #ifdef DEBUG getchar(); #endif //seconda metà della velocità for (i=0; iN; i++) { s->p[i].vx += 0.5 * s->p[i].fx*s->deltat/s->p[i].m; s->p[i].vy += 0.5 * s->p[i].fy*s->deltat/s->p[i].m; *K += 0.5*(s->p[i].vx*s->p[i].vx + s->p[i].vy*s->p[i].vy)*s->p[i].m; } *energy += *K; *energy /= s->N; // energia per particella *K /= s->N; } int save(simulation *s, char * filename) { int i; FILE * f; if ((f = fopen(filename, "w")) == NULL) { printf("file '%s' is not writable\n", filename); return (1); } fprintf(f, "%d %f %f %f %f %f %f\n",s->N, s->LX, s->LY,s->gravity, s->deltat, s->cell_size, s->rc); for (i=0; i< s->N; i++) { fprintf(f, "%f %f %f %f %f %f %f\n", s->p[i].m,s->p[i].x,s->p[i].y,s->p[i].vx,s->p[i].vy,s->p[i].fx,s->p[i].fy); } fclose(f); return(0); } simulation * load(char * filename) { simulation *s; int i, N; double LX, LY, gravity, deltat, cell_size, rc; double m, x, y, vx, vy, fx, fy; FILE *f; if ((f = fopen(filename, "r")) == NULL) { printf("file '%s' does not exists or is not readable\n", filename); return (NULL); } fscanf(f, "%d %lf %lf %lf %lf %lf %lf\n", &N, &LX, &LY,&gravity, &deltat, &cell_size, &rc); s = new_simulation(N, LX, LY, gravity, deltat, cell_size, rc); for (i=0; ip[i].m=m; s->p[i].x=x; s->p[i].y=y; s->p[i].vx=vx; s->p[i].vy=vy; s->p[i].fx=fx; s->p[i].fy=fy; // inserisco le particelle nelle celle (se cambiate) int ix, iy, k; ix = (int) (s->p[i].x / s->cell_size); iy = (int) (s->p[i].y / s->cell_size); k = iy * s->Mx + ix; // numero cella push(s->cell + k, i); // si inserisce nella nuova ll s->p[i].cell=k; // memorizzo la cella nella struttura. } return(s); } void increment_temperature(simulation * s, double deltaT) { int i; if (deltaT == 0.0) { return; } for (i=0; i< s->N; i++) { s->p[i].vx *= 1+deltaT; s->p[i].vy *= 1+deltaT; } } void init_visualize(FILE *gp, simulation * s) { fprintf(gp, "set size square; unset key\n"); fprintf(gp, "unset arrow; unset label\n"); fprintf(gp, "set xrange [0:%f]; set yrange [0:%f]\n", s->LX, s->LY); #ifdef VISDEBUG int i, j; for (i=0; i< s->Mx; i++) { fprintf(gp, "set arrow from %f,0 to %f,%f nohead lt 0 lc 'red'\n", i*s->cell_size,i*s->cell_size, s->LY); } for (i=0; i< s->My; i++) { fprintf(gp, "set arrow from 0,%f to %f,%f nohead lt 0 lc 'red'\n", i*s->cell_size, s->LX,i*s->cell_size); } for (j=0; jMy; j++) { for (i=0; iMx; i++) { fprintf(gp, "set label '(%d)' at %f,%f textcolor 'red'\n", j*s->Mx+i, (i+0.1)*s->cell_size, (j+0.2)*s->cell_size); } } #endif } void visualize(FILE * gp, simulation * s, char * title) { int i; fprintf(gp, "set title '%s'\n", title); #ifdef VISDEBUG fprintf(gp, "plot '-' w p pt 6 ps %f, '-' u 1:2:3 w labels offset 1.2\n", 50/s->LX); for (i=0; iN; i++) { fprintf(gp, "%f %f\n", s->p[i].x, s->p[i].y); } fprintf(gp, "e\n"); for (i=0; iN; i++) { fprintf(gp, "%f %f %d\n", s->p[i].x, s->p[i].y, i); } fprintf(gp, "e\n"); #else fprintf(gp, "plot '-' binary record=%d format='%%double' w p pt 6 ps %f \n", s->N, 50/s->LX); for (i=0; iN; i++) { fwrite(&(s->p[i].x), sizeof(double),2, gp); // fwrite(&(p[i].y), sizeof(double),1, gp); } #endif fflush (gp); }