Download of the code
A modular implementation is available for download under LGPL license agreement. We encourage users to have a look to the official license websites in case of doubts: The code is available on GitHub at https://github.com/filippolipparini/ddPCM. Use Git or checkout with SVN using the web URL:
We are currently working on including the ddPCM-method in this modular package. We keep you posted!
How to cite the method and the code?
Has this method and code been useful to you, or even produced exciting results? If so, please acknowledge the method and its implementation by citing the following papers:
Domain decomposition for implicit solvation models.
E. Cancès, Y. Maday, B. Stamm
J. Chem. Phys., 139, 054111 (2013)
Fast Domain Decomposition Algorithm for Continuum Solvation Models: Energy and First Derivatives.
F. Lipparini, B. Stamm, E. Cancès, Y. Maday, B. Mennucci
J. Chem. Theory Comput., 9, 3637-3648 (2013)
Quantum, classical, and hybrid QM/MM calculations in solution: General implementation of the ddCOSMO linear scaling strategy.
F. Lipparini, G. Scalmani, L. Lagardère, B. Stamm, E. Cancès, Y. Maday, J.-P.Piquemal, M. J. Frisch, B. Mennucci
J. Chem. Phys., 141, 184108 (2014)