void setup_state(struct State *S)
{
setup_network(&S->ntw);
setup_simulation(&S->sim);
}
int main(int argc, char *argv[]) {
simparams X;
X.m = 1;
X.lambda = 1./6.;
X.n = 4;
X.gamma = 1./X.n;
X.rho = 100;
X.N = 10; // default
X.tmax = 100;
X.steps = 1e6;
X.dt = X.tmax*1.0/X.steps;
double te = 14; // ?
if ( argc != 4 ) {
printf("Too few arguments. 3 required, %d given\n", argc-1);
printf("Usage: %s {N_min} {N_max} {N_step}\n", argv[0]);
return 1;
}
int N_min = abs(atoi(argv[1]));
int N_max = abs(atoi(argv[2]));
int N_step = abs(atoi(argv[3]));
if (N_min == 0) {
printf("You can't run the simulation for 0 particles\n");
printf("I'm going to ignore this and start at %d\n",N_step);
N_min = N_step;
}
double **q = (double**) malloc(N_max * sizeof(double));
for (int i = 0; i < N_max; i++)
q[i] = (double*) malloc(X.steps * sizeof(double));
double **p = (double**) malloc(N_max * sizeof(double));
for (int i = 0; i < N_max; i++)
p[i] = (double*) malloc(X.steps * sizeof(double));
double *Q = (double*) malloc(X.steps * sizeof(double));
double *EKin = (double*) malloc(X.steps * sizeof(double));
double *var = (double*) malloc(N_max * sizeof(double));
time_t integration_time;
double *times = (double*) malloc(N_max * sizeof(double));
FILE* fp;
if ((fp = fopen("Var.dat","w")) == NULL) return 1;
for (int n = N_min; n <= N_max; n += N_step) {
X.N = n;
printf("### N = %d ###\n", X.N);
printf("Setting up the simulation\n");
setup_simulation(q, p, X.N);
printf("Integrating differential equation\n");
integration_time = time(NULL);
for (int t = 0; t < X.steps-1; t++) {
velocity_verlet_step(q, p, t, &X);
}
times[X.N-1] = time(NULL) - integration_time;
printf("Total time taken: %.2f seconds\n", times[X.N-1]);
printf("Calculating COM motion and kinetic energy\n");
centre_of_mass_motion(Q, q, &X);
kinetic_energy(EKin, p, &X);
var[X.N-1] = mean_kinetic_energy(EKin, te, &X);
fprintf(fp, "%d\t%e\t%e\n", X.N, var[X.N-1],times[X.N-1]);
fflush(fp);
//if ( n+N_step > N_max ) {
printf("Writing results to disk\n");
write_single_pointer("Q.dat", Q, X.steps, X.dt);
write_single_pointer("EKin.dat", EKin, X.steps, X.dt);
//}
}
fclose(fp);
free(q);
free(p);
free(Q);
free(EKin);
free(var);
free(times);
return 0;
}
