optking (also known as pyoptking) is a rewrite of the c++ optking module in
psi4.This rewrite was undertaken to enable future development and for use with
recent interoperability efforts (e.g. MolSSI QCArchive and QCDB). optking is
focused on optimization of molecular geometries: finding minima, transition
states, and reaction paths. Current work is focused especially on expanding
the reaction path methods.