Generate neighbor list for the particles in a periodic boundary cell.
Project description
pairlist
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
Usage
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.
Algorithm
A simple cell division algorithm is implemented.
Demo
It requires GenIce to make the test data.
% make test
Requirements
- python
- numpy
Bugs
Release history Release notifications | RSS feed
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