Metropolis

class Metropolis : public feasst::Criteria

Metropolis et al.[1] acceptance criteria.

References:

[1]

Nicholas Metropolis, Arianna W. Rosenbluth, Marshall N. Rosenbluth, Augusta H. Teller, and Edward Teller. Equation of State Calculations by Fast Computing Machines. The Journal of Chemical Physics, 21(6):1087–1092, 1953. doi:10.1063/1.1699114.

Public Functions

Metropolis(std::shared_ptr<Constraint> constraint)

Same as above, but with an added constraint.

bool is_accepted(const System &system, Acceptance *acceptance, Random *random)

Return whether or not the trial attempt should be accepted.

Arguments

• num_trials_per_iteration: define an iteration as a number of trials (as measured by number of calls to is_accepted) default: 1e9. Note that iterations are defined like cycles, but are not necessarily the number of particles.

• Criteria arguments.