void System::removeTotalMomentum()
{
StatisticsSampler sampler;
vector<double> momentum = sampler.calculateTotalMomentum(shared_from_this());
if(numberOfAtoms() > 0) {
momentum[0] /= numberOfAtoms();
momentum[1] /= numberOfAtoms();
momentum[2] /= numberOfAtoms();
}
atomManager().atoms().iterate([&](Atom &atom) {
atom.velocity[0] -= momentum[0]*atom.type()->massInverse();
atom.velocity[1] -= momentum[1]*atom.type()->massInverse();
atom.velocity[2] -= momentum[2]*atom.type()->massInverse();
});
}
std::ostream& operator<<(std::ostream &stream, System &system) {
StatisticsSampler sampler;
stream << "System information:" << endl;
stream << "Length [Å]: " << UnitConverter::lengthToAngstroms(system.systemLength()) << endl;
stream << "Number of atoms: " << system.numberOfAtoms() << endl;
stream << "Number of ghost atoms: " << system.numberOfGhostAtoms() << endl;
stream << "Potentials (" << system.potentials().size() << "): " << endl;
for(Potential *potential : system.potentials()) {
stream << " " << potential->name() << endl;
}
std::shared_ptr<System> system_ptr(&system);
vector<double> momentum = sampler.calculateTotalMomentum(system_ptr);
stream << "Total momentum: (" << momentum.at(0) << "," << momentum.at(1) << "," << momentum.at(2) << ")";
return stream;
}