HenryCoefficient

class HenryCoefficient : public feasst::Analyze

Assumes there is only one Trial, TrialAdd, and it is AlwaysReject-ed. Accumulate \(\langle e^{-\beta \Delta U}\rangle\), where \(\Delta U\) is the energy contribution of the attempt to add the particle.

Public Functions

std::string header(const Criteria &criteria, const System &system, const TrialFactory &trials) const

Return the header for writing.

void initialize(Criteria *criteria, System *system, TrialFactory *trial_factory)

Initialize and precompute before trials.

void update(const Criteria &criteria, const System &system, const TrialFactory &trial_factory)

Perform update action.

std::string write(const Criteria &criteria, const System &system, const TrialFactory &trial_factory)

Perform write action.