AnalyzeBonds

class AnalyzeBonds : public feasst::Analyze

Compute the distribution and moments of each type of bond and angle.

Arguments

  • bond_bin_width: bin width for bond histogram (default: 1).

  • bond_bin_center: center of first bin in bond histogram (default: 0).

  • angle_bin_width: bin width for angle histogram in units of radians. (default: 0.01).

  • angle_bin_center: center of first bin in angle histogram (default: 0).

  • dihedral_bin_width: bin width for dihedral histogram in units of radians. (default: 0.01).

  • dihedral_bin_center: center of first bin in dihedral histogram (default: 0).

  • Stepper arguments.