Example usage of the kim-tools package to make a Crystal Genome Test Driver. This Test Driver computes the energy vs. volume of an arbitrary crystal under isotropic contraction and expansion.
As with any Crystal Genome Test Driver written using kim-tools, this Test Driver can be run directly. See how to do so here:
https://kim-tools.readthedocs.io/en/latest/auto_examples/CrystalGenomeASEExample__TD_000000654321_000/run.html (in fact, this is a rendered version of the run.py script found in this repo).