Modify

class Modify : public feasst::Stepper

Perform an action every so many steps that may change the system, criteria or trials.

Subclassed by feasst::ModifyFactory, feasst::ModifyUpdateOnly, feasst::PairDistribution

Public Functions

virtual void initialize(Criteria *criteria, System *system, TrialFactory *trial_factory)

Initialize and precompute before trials.

virtual void trial(Criteria *criteria, System *system, TrialFactory *trial_factory)

Check every trial if action is to be performed.

virtual void update(Criteria *criteria, System *system, TrialFactory *trial_factory)

Perform update action.

virtual std::string write(Criteria *criteria, System *system, TrialFactory *trial_factory)

Perform write action.

class ModifyUpdateOnly : public feasst::Modify

This Modify does not perform writes.

Subclassed by feasst::CheckEnergy, feasst::CheckProperties, feasst::CriteriaUpdater, feasst::RecenterParticles, feasst::Tuner

Public Functions

ModifyUpdateOnly(const argtype &args = argtype())

args:

  • steps_per: update every this many steps