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.

Arguments

• trials_per_cycle: define a cycle as a number of trials (as measured by number of calls to is_accepted) default: 1e9. Cycles are not necessarily the number of particles, nor do cycles perturb each particle in order systematically.

• Criteria arguments.

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.