int main(int argc, char **argv) {
double n_reduced, temp;
if (argc != 3) {
printf("usage: %s reduced_density kT\n", argv[0]);
return 1;
}
sscanf(argv[1], "%lg", &n_reduced);
sscanf(argv[2], "%lg", &temp);
const double rad = 1; // //radius of our spheres
const double sigma = rad*pow(2,5.0/6.0);
Functional f = HardRosenfeldFluid(rad,0);
if (temp > 0) f = SoftFluid(sigma, 1, 0);
const double mu = find_chemical_potential(OfEffectivePotential(f), (temp)?temp:1, n_reduced*pow(2,-5.0/2.0));
printf("mu is %g for reduced density = %g at temperature %g\n", mu, n_reduced, temp);
if (temp > 0) f = SoftFluid(sigma, 1, mu);
else f = HardRosenfeldFluid(rad, mu);
const char *name = "hard";
if (temp > 0) name = "soft";
run_walls(n_reduced, name, f, temp);
return 0;
}
int main(int, char **) {
FILE *fout = fopen("papers/fuzzy-fmt/figs/wallsfillingfracInfo.txt", "w");
fclose(fout);
const double etas[] = { 0.1, 0.4 };
const double temps[] = { 0.0, 0.01, 0.02, 0.03 };
for (double eta = 0.4; eta > 0; eta-=0.3) {
for (unsigned int i = 0; i<sizeof(temps)/sizeof(temps[0]); i++) {
const double temp = temps[i];
Functional f = HardFluid(1,0);
if (temp > 0) f = SoftFluid(1, 1, 0);
const double mu = find_chemical_potential(OfEffectivePotential(f), (temp)?temp:1, eta/(4*M_PI/3));
printf("mu is %g\n", mu);
if (temp > 0) f = SoftFluid(1, 1, mu);
else f = HardFluid(1, mu);
const char *name = "hard";
if (temp > 0) name = "soft";
run_walls(eta, name, f, temp);
}
}
// Just create this file so make knows we have run.
if (!fopen("papers/fuzzy-fmt/figs/walls.dat", "w")) {
printf("Error creating walls.dat!\n");
return 1;
}
return 0;
}
double run_soft_sphere(double reduced_density, double temp) {
Functional f = SoftFluid(sigma, 1, 0);
const double mu = find_chemical_potential(OfEffectivePotential(f), temp, reduced_density*pow(2,-5.0/2.0));
printf("mu is %g for reduced_density = %g at temperature %g\n", mu, reduced_density, temp);
//printf("Filling fraction is %g with functional %s at temperature %g\n", reduced_density, teff);
//fflush(stdout);
temperature = temp;
//if (kT == 0) kT = ;1
Lattice lat(Cartesian(xmax,0,0), Cartesian(0,ymax,0), Cartesian(0,0,zmax));
GridDescription gd(lat, dx);
Grid softspherepotential(gd);
softspherepotential.Set(soft_sphere_potential);
f = SoftFluid(sigma, 1, mu); // compute approximate energy with chemical potential mu
const double approx_energy = f(temperature, reduced_density*pow(2,-5.0/2.0))*xmax*ymax*zmax;
const double precision = fabs(approx_energy*1e-9);
f = OfEffectivePotential(SoftFluid(sigma, 1, mu) + ExternalPotential(softspherepotential));
static Grid *potential = 0;
potential = new Grid(gd);
*potential = softspherepotential - temperature*log(reduced_density*pow(2,-5.0/2.0)/(1.0*radius*radius*radius))*VectorXd::Ones(gd.NxNyNz); // Bad starting guess
printf("\tMinimizing to %g absolute precision from %g from %g...\n", precision, approx_energy, temperature);
fflush(stdout);
Minimizer min = Precision(precision,
PreconditionedConjugateGradient(f, gd, temperature,
potential,
QuadraticLineMinimizer));
took("Setting up the variables");
for (int i=0; min.improve_energy(true) && i<100; i++) {
}
took("Doing the minimization");
min.print_info();
Grid density(gd, EffectivePotentialToDensity()(temperature, gd, *potential));
//printf("# per area is %g at filling fraction %g\n", density.sum()*gd.dvolume/dw/dw, reduced_density);
char *plotname = (char *)malloc(1024);
sprintf(plotname, "papers/fuzzy-fmt/figs/radial-wca-%06.4f-%04.2f.dat", temp, reduced_density);
z_plot(plotname, Grid(gd, pow(2,5.0/2.0)*density));
free(plotname);
{
//double peak = peak_memory()/1024.0/1024;
//double current = current_memory()/1024.0/1024;
//printf("Peak memory use is %g M (current is %g M)\n", peak, current);
}
took("Plotting stuff");
printf("density %g gives ff %g for reduced_density = %g and T = %g\n", density(0,0,gd.Nz/2),
density(0,0,gd.Nz/2)*4*M_PI/3, reduced_density, temp);
return density(0, 0, gd.Nz/2)*4*M_PI/3; // return bulk filling fraction
}
