DL POLY 3 is a general purpose parallel molecular dynamics simulation package developed at Daresbury Laboratory by W. Smith and I.T. Todorov. The package was developed under the auspices of the Engineering and Physical Sciences Research Council (EPSRC) for the EPSRC's Collaborative Computational Project for the Computer Simulation of Condensed Phases (CCP5), the Computational Chemistry Group (CCG) at Daresbury Laboratory and the Natural Environment Research Council (NERC) for the NERC's eScience project Computational Chemistry in the Environment (eMinerals), directed by M.T. Dove.
DL POLY 3 is the property of Daresbury Laboratory and is issued free under licence to academic institutions pursuing scientific research of a non-commercial nature. Commercial organisations may be permitted a licence to use the package after negotiation with the owners. Daresbury Laboratory is the sole centre for distribution of the package. Under no account is it to be redistributed to third parties without consent of the owners.
The purpose of the DL POLY 3 package is to provide software for academic research that is inexpensive, accessible and free of commercial considerations. Users have direct access to source code for modification and inspection. In the spirit of the enterprise, contributions in the form of working code are welcome, provided the code is compatible with DL POLY 3 in regard to its interfaces and programming style and it is adequately documented.
Valène Pellissier 2011-08-24