MacrostateEnergy

class MacrostateEnergy : public feasst::Macrostate

Defines the macrostate to be the total potential energy of the system. WARNING: this class has not been tested at all.

Arguments

  • particle_type: number of particles of type. If -1 (default), count all types.

  • Macrostate arguments.

Public Functions

MacrostateEnergy(const Histogram &histogram, argtype args = argtype())

Arguments as described above, but with explicit histogram object.

double value(const System &system, const Criteria &criteria, const Acceptance &acceptance) const

Return the current value of the macrostate.