HeatCapacity

class HeatCapacity : public feasst::Analyze 

Accumulate average heat capacity, C, per Boltzmann constant ( $k_B$), as computed from the fluctuation in the energy, U,

/f$\beta \langle C \rangle/k_B = \beta^2 (\langle U^2 \rangle - \langle U \rangle^2) /f$.

Note that the heat capacity can also be computed from the moments output by Energy.

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.

Arguments