PairDistributionInner

class PairDistributionInner : public feasst::ModelTwoBody

Compute PairDistribution from the inner two-body vistor

Public Functions

void serialize(std::ostream &ostr) const

Output a serialized version of the existing model.

class PairDistribution : public feasst::Modify

Compute pair distributions. This class effectively functions as an Analyze because it does not change the System. However, the pair distance calculation utilizes Potential::energy, which requires a pointer to Configuration.

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(Criteria *criteria, System *system, Random *random, TrialFactory *trial_factory)

Perform update.

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

Perform write.

Arguments

• dr: radial distribution bin size (default: 0.1).

• print_intra: print the intramolecular distributions (default: false).