Python scripts to conduct optimization using a set of optimization algorithms utilizing an ANI energies and forces.

Please cite this work: "Development and Evaluation of Geometry Optimization Algorithms in Conjunction with ANI Potentials", Dongxiao Hao, Xibing He, Adrian E. Roitberg, Shengli Zhang, and Junmei Wang J. Chem. Theory Comput. 2022, XXXX, XXX, XXX-XXX Publication Date:January 12, 2022 https://doi.org/10.1021/acs.jctc.1c01043