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We can have a data structure that has a hash table for each atom type (since we know their number). Lookups in the current std::map are one of bottlenecks.
The text was updated successfully, but these errors were encountered:
We can have a data structure that has a hash table for each atom type (since we know their number). Lookups in the current std::map are one of bottlenecks.
The text was updated successfully, but these errors were encountered: