This is a geometry optimization code for molecular structures. The code works
by calling external software for the energy and gradient through wrapper
functions. Q-Chem, TeraChem, Psi4, Molpro, and Gaussian 09/16 are supported
quantum chemistry codes through the command line interface. The PySCF and
QCArchive packages also provide interfaces to geomeTRIC for optimization.
MM optimizations using OpenMM and Gromacs are also supported through the
command line interface.

WWW: https://github.com/leeping/geomeTRIC