A script for determining nearest-neighbors within a radius.
In the root directory,
pip install .
For a development install,
pip install -r requirements.txt
On the command line, to load nodes from input.txt and specify a search radius of 1.0,
atomneighbors -p input.txt -r 1.0
Instead of the -p flag to specify an input filepath, you may specify a number of nodes to randomly generate with -n. Note that the nodes will be uniformly distributed in a range from -10^7 to 10^7 in all directions.
The output will be printed to stdout (unless the -q flag is used), and written to output.txt in the current working directory.
The -t flag causes the runtime to be reported.