PElib: The Polarizable Embedding library

The PE library is an implementation of the polarizable embedding (PE) model which is fully polarizable fragment-based quantum-classical approach, as described in the following scientific works

• Olsen, J. M. H., Aidas, K., and Kongsted, J., J. Chem. Theory Comput. 6, 2010, pp 3721–3734 (https://doi.org/10.1021/ct100380)

• Olsen, J .M. H. and Kongsted, J., Adv. Quantum Chem. 61, 2011, pp 107-143 (https://doi.org/10.1016/B978-0-12-386013-2.00003-6)

• Olsen, J. M. H. (2012). Ph. d. thesis, 2012, Department of Physics, Chemistry and Pharmacy, University of Southern Denmark (https://doi.org/10.6084/m9.figshare.156852)