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Feature #280669

Unit tests for neighbour lists

Added by Nicolas Höft over 3 years ago.

Status:
New
Priority:
Normal
Assignee:
-
Target version:
-
Start date:
2014-03-15
Due date:
% Done:

0%


Description

Neighbour lists modules lack a unit test.
As lists are not directly comparable because they are not sorted, an N² algorithm that compares all pairs will be required. E.g making sure all particles in the neighbour list have a distance r_ij < r_c + r_skin, and all other pairs have a distance of r_ij > r_c + r_skin

Also edge cases should be considered (e.g. a cell list with 1x2x5 cells), two particle instances with highly different particle numbers.

This could also be used for (manual) performance tracking.

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