Example of an mBuild
recipe using setuptools
entry_points
.
This project contains an FCC lattice system, inheriting from mbuild.Lattice
,
where the only input is an mbuild.Compound
of choice.
That Compound
will then be populated at all basis points of an FCC lattice ([0,0,0], [0.5,0.5,0], [0,0.5,0.5], [0.5,0,0.5]).
Note that this recipe does not include unit tests, this is meant to only be a tutorial and example system to showcase the entry_points
feature now included with mBuild
.
An actual recipe would require unit testing, continuous integration, etc.
See this document for a step-by-step tutorial that follows with this repository.