#include #include #include #include #include #include typedef struct { double m; double x, y; double vx, vy; double fx, fy; } particle; typedef struct { int N; particle *p; double LX, LY; double deltat, deltat2; double gravity; } simulation; simulation * new_simulation(int N, double LX, double LY, double gravity, double deltat); 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); 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; T = 1000000; VIS = 1000; temp = 4; // temperature deltat = 0.0001; LX=100; LY=100; N=100; deltaT = 0; gravity = 0; s=NULL; gp = popen("gnuplot", "w"); fprintf(gp, "set size square; unset key; set xrange [0:%f]; set yrange [0:%f]\n", LX, LY); // 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> "); fgets(str, 100, stdin); str[strcspn(str, "\n")]='\0'; // remove trailing newlines 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); random_init(s, temp); 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); 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(); 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; } } } void visualize(FILE * gp, simulation * s, char * title) { int i; fprintf(gp, "set title '%s'\n", title); fprintf(gp, "plot '-' binary record=%d format='%%double' w p pt 6 \n", s->N); for (i=0; iN; i++) { fwrite(&(s->p[i].x), sizeof(double),2, gp); // fwrite(&(p[i].y), sizeof(double),1, gp); } fflush (gp); } 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; } } simulation * new_simulation(int N, double LX, double LY, double gravity, double deltat) { simulation *s; s=calloc(1, sizeof(simulation)); s->N = N; s->LX = LX; s->LY = LY; s->gravity = gravity; s->deltat = deltat; s->deltat2=deltat*deltat; s->p = calloc(N, sizeof(particle)); return (s); } void destroy_simulation(simulation *s) { free(s->p); 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); } 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); } 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; } } // 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 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; 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); } } // gravity if (s->gravity > 0) { for (i=0; i< s->N; i++) { s->p[i].fy -= s->gravity * s->p[i].m; } } //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\n",s->N, s->LX, s->LY, s->gravity, s->deltat); 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; 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\n", &N, &LX, &LY, &gravity, &deltat); s = new_simulation(N, LX, LY, gravity, deltat); 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; } 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; } }