Вот исходный код метода композиции четвертого порядка, основанного на схеме Верле.Линейная регрессия $ \ log_ {10} (\ Delta t) $ против $ \ log_ {10} (Ошибка) $ покажет наклон 4, как и ожидалось из теории (см. График ниже).Более подробную информацию можно найти здесь , здесь или здесь .
#include <cmath>
#include <iostream>
using namespace std;
const double total_time = 5e3;
// Parameters for the potential.
const double sigma = 1.0;
const double sigma6 = pow(sigma, 6.0);
const double epsilon = 1.0;
const double four_epsilon = 4.0 * epsilon;
// Constants used in the composition method.
const double alpha = 1.0 / (2.0 - cbrt(2.0));
const double beta = 1.0 - 2.0 * alpha;
static double force(double q, double& potential);
static void verlet(double dt,
double& q, double& p,
double& force, double& potential);
static void composition_method(double dt,
double& q, double& p,
double& f, double& potential);
int main() {
const double q0 = 1.5, p0 = 0.1;
double potential;
const double f0 = force(q0, potential);
const double total_energy_exact = p0 * p0 / 2.0 + potential;
for (double dt = 1e-2; dt <= 5e-2; dt *= 1.125) {
const long steps = long(total_time / dt);
double q = q0, p = p0, f = f0;
double total_energy_average = total_energy_exact;
for (long step = 1; step <= steps; ++step) {
composition_method(dt, q, p, f, potential);
const double total_energy = p * p / 2.0 + potential;
total_energy_average += total_energy;
}
total_energy_average /= double(steps);
const double err = fabs(total_energy_exact - total_energy_average);
cout << log10(dt) << "\t"
<< log10(err) << endl;
}
return 0;
}
double force(double q, double& potential) {
const double r2 = q * q;
const double r6 = r2 * r2 * r2;
const double factor6 = sigma6 / r6;
const double factor12 = factor6 * factor6;
potential = four_epsilon * (factor12 - factor6);
return -four_epsilon * (6.0 * factor6 - 12.0 * factor12) / r2 * q;
}
void verlet(double dt,
double& q, double& p,
double& f, double& potential) {
p += dt / 2.0 * f;
q += dt * p;
f = force(q, potential);
p += dt / 2.0 * f;
}
void composition_method(double dt,
double& q, double& p,
double& f, double& potential) {
verlet(alpha * dt, q, p, f, potential);
verlet(beta * dt, q, p, f, potential);
verlet(alpha * dt, q, p, f, potential);
}