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Expectation outputs contain large amount of pairs. 'all-pairs.pl' has complexity like t_Nm_Nh^2. For large MD trajectories run time takes longer. 'all-pairs.pl' can be paralleled considering initialization of the algorithm loads all expectation results which consume large memory.
The text was updated successfully, but these errors were encountered:
Expectation outputs contain large amount of pairs. 'all-pairs.pl' has complexity like t_Nm_Nh^2. For large MD trajectories run time takes longer. 'all-pairs.pl' can be paralleled considering initialization of the algorithm loads all expectation results which consume large memory.
The text was updated successfully, but these errors were encountered: