vegas-lattice 0.4.0

A grid lattice sample generator

vegas-lattice

A lattice generator part of the vegas software initiative, it provides the esential routines to generate regular graph lattices in linear time, as well as some cuts of those lattices for nano particles and randomly depleted lattices.

Instalation

The vegas-lattice program has been tested in python 3.4 and 3.5 to work properly, you can install the package from the python package index using the following command:

pip install vegas-lattice   # this might require sudo

After that the vegas-lattice command should be available to your command prompt.

Feel free to use the descriptor files provided in the docs directory to do some tests, and also to run

vegas-lattice --help

to get some instructions in how to use the program.

Features

The vegas-lattice package currently features three main routines:

• bulk creates a cubic lattice with the specified periodic boundary conditions.

• nanoparticle creates a spherical nanoparticle of the given diameter.

• depleted creates a bulk lattice with random site depletion.

• describe bootstraps a descriptor file using a simple site list.