NeighborCriteria¶
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class
NeighborCriteria
¶ Criteria for determining neighbors.
Public Functions
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NeighborCriteria
(argtype args = argtype())¶ args:
reference_potential: index of reference potentials (default: -1). If -1, use full potentials.
potential_index: index of potential for pair interaction (default: 0).
energy_maximum: maximum energy to be in cluster (default: largest double precision).
minimum_distance: minimum separation distance (default: 0).
maximum_distance: maximum separation distance (default: NEAR_INFINITY).
site_type0: consider only interactions between a specific site type. If -1, consider all sites (default: -1).
site_type1: consider only interactions between a specific site type. If -1, consider all sites (default: -1).
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bool
is_accepted
(const double energy, const double squared_distance, const int site_type0, const int site_type1) const¶ Return true if criteria are satisfied.
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double
volume
(const int dimension) const¶ Return the volume based on the distance criteria.
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bool
is_position_accepted
(const Position &position, const Domain &domain)¶ Return true if position satisfies criteria, taking into account PBCs.
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void
serialize
(std::ostream &ostr) const¶ Serialize.
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NeighborCriteria
(std::istream &istr)¶ Construct from serialization.
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