Generates the pair list of atoms that are closer to each other than the given threshold under the periodic boundary conditions.

version 0.6.2

See pairlist.h for the function definition and pairlist-test.c for usage.

Python API is served in pairlist.py. The API document is here.

See benchmark.ipynb for the comparison with other methods.

A simple cell division algorithm is implemented.

It requires GenIce to make the test data.

% make test

• python
• numpy