Chirality2D
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class Chirality2D : public feasst::Analyze
Compute the 2D chirality by analyzing the sign of the cross product between two bonds.
Public Functions
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std::string header(const Criteria &criteria, const System &system, const TrialFactory &trials) const
Return the header for writing.
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void initialize(Criteria *criteria, System *system, TrialFactory *trial_factory)
Initialize and precompute before trials.
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void update(const Criteria &criteria, const System &system, const TrialFactory &trial_factory)
Perform update action.
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std::string write(const Criteria &criteria, const System &system, const TrialFactory &trial_factory)
Perform write action.
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const Accumulator &num_positive() const
Return the average number of chiral positive particles.
Arguments
group: group index in Configuration (default: 0).
bond1: index of the first bond (default: 0).
bond2: index of the second bond (default: 1).
sign_error: error if chirality of sign and != 0 (default 0).
Stepper arguments.
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std::string header(const Criteria &criteria, const System &system, const TrialFactory &trials) const