Modify¶
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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
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virtual void
initialize(Criteria *criteria, System *system, TrialFactory *trial_factory)¶ Initialize and precompute before trials.
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virtual void
trial(Criteria *criteria, System *system, TrialFactory *trial_factory)¶ Check every trial if action is to be performed.
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virtual void
update(Criteria *criteria, System *system, TrialFactory *trial_factory)¶ Perform update action.
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virtual std::string
write(Criteria *criteria, System *system, TrialFactory *trial_factory)¶ Perform write action.
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virtual void
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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
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ModifyUpdateOnly(const argtype &args = argtype())¶ args:
steps_per: update every this many steps
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