Hierarchical bounding structures for efficient virial computations: Towards a realistic molecular description of cholesterics
We detail the application of bounding volume hierarchies to accelerate second-virial evaluations for arbitrary complex particles interacting through hard and soft finite-range potentials. This procedure, based on the construction of neighbour lists through the combined use of recursive atom-decompos...
| Main Authors: | , |
|---|---|
| Format: | Journal article |
| Izdano: |
AIP Publishing
2017
|