Analyze

class Analyze : public feasst::Stepper

Perform a read-only action every so many steps.

Subclassed by feasst::AnalyzeFactory, feasst::AnalyzeUpdateOnly, feasst::AnalyzeWriteOnly, feasst::Chirality2D, feasst::Energy, feasst::ExtensiveMoments, feasst::HenryCoefficient, feasst::MeanSquaredDisplacement, feasst::NumParticles, feasst::ProfileTrials, feasst::Volume

Public Functions

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

Initialize and precompute before trials.

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

Check every trial if action is to be performed.

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

Perform update action.

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

Perform write action.

class AnalyzeWriteOnly : public feasst::Analyze

This Analyze does not perform updates.

Subclassed by feasst::CPUTime, feasst::CriteriaWriter, feasst::Log, feasst::Movie

Public Functions

AnalyzeWriteOnly(const argtype &args = argtype())

args:

  • steps_per: write every this many steps

class AnalyzeUpdateOnly : public feasst::Analyze

This Analyze does not perform writes.

Subclassed by feasst::AnalyzeBonds, feasst::Check, feasst::CheckNetCharge, feasst::CheckPhysicality, feasst::CheckRigidBonds, feasst::WallClockLimit

Public Functions

AnalyzeUpdateOnly(const argtype &args = argtype())

args:

  • steps_per: update every this many steps