Todorov I.T., Smith W. The Dl Poly 4 User Manual

2014. - 317 p.DL POLY 4 is a general purpose parallel molecular dynamics simulation package developed at Daresbury Laboratory by W. Smith and I.T. Todorov. The DL POLY project 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 and Advanced Research Computing Groups (CCG & ARCG) 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.