EnergyMapAllCriteria
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class EnergyMapAllCriteria : public feasst::EnergyMapAll
Same as EnergyMapAll, except subject update to NeighborCriteria.
Public Functions
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double update(const double energy, const int part1_index, const int site1_index, const int site1_type, const int part2_index, const int site2_index, const int site2_type, const double squared_distance, const Position *pbc, const Configuration &config)
Update the interaction.
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bool is_queryable() const
Return true if the total interaction energy is stored (e.g., no criteria for inclusion.
Arguments
neighbor_index: NeighborCriteria index contained in Configuration (default: 0).
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double update(const double energy, const int part1_index, const int site1_index, const int site1_type, const int part2_index, const int site2_index, const int site2_type, const double squared_distance, const Position *pbc, const Configuration &config)