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.
-
void serialize(std::ostream &ostr) const
-
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 MonteCarlo &mc) const
Return the header for writing.
-
void initialize(MonteCarlo *mc)
Initialize and precompute before trials.
-
void update(MonteCarlo *mc)
Perform update.
-
std::string write(MonteCarlo *mc)
Perform write.
Arguments
dr: radial distribution bin size (default: 0.1).
print_intra: print the intramolecular distributions (default: false).
-
std::string header(const MonteCarlo &mc) const