DL-FIND

DL-FIND: A Geometry Optimizer for Atomistic Simulation Codes A geometry optimization library for quantum chemical and QM/MM calculations to be included into electronic structure codes. DL-FIND can be used to search for minima, transition states (the main strength of the code), and conical intersections.

References in zbMATH (referenced in 1 article )

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  1. Chen, Huajie; Ortner, Christoph: QM/MM methods for crystalline defects. II: Consistent energy and force-mixing (2017)


Further publications can be found at: http://www.theochem.uni-stuttgart.de/kaestner/publications.html