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Improve performance in MD simulations with many barrier particles.
Proposed solution
When there are any 0 entries in the r_cut matrix, generate a list of particle indices that have more than 0 neighbors. Adjust the pair force loops to loop over only particles with non-zero numbers of neighbors.
Additional context
Obtain system configurations from users to benchmark the performance benefits.
The text was updated successfully, but these errors were encountered:
Reopening because of the possible performance benefits for systems of rigid body + surface patches, where the rigid body centers don't interact with the constituent particles.
Description
Improve performance in MD simulations with many barrier particles.
Proposed solution
When there are any 0 entries in the r_cut matrix, generate a list of particle indices that have more than 0 neighbors. Adjust the pair force loops to loop over only particles with non-zero numbers of neighbors.
Additional context
Obtain system configurations from users to benchmark the performance benefits.
The text was updated successfully, but these errors were encountered: