DL_POLY¶

Description¶

DL_POLY Classic is a general purpose molecular dynamics simulation package developed at Daresbury Laboratory by W. Smith, T.R. Forester and I.T. Todorov. It is based on the package DL_POLY_2, which was originally developed by the former Computational Chemistry Group at Daresbury Laboratory under the auspices of the EPSRC, for the EPSRC's Collaborative Computational Project for the Computer Simulation of Condensed Phases (CCP5).

Environment Modules¶

Run module spider dlpoly to find out what environment modules are available for this application.

Environment Variables¶

HPC_DLPOLY_DIR - installation directory
HPC_DLPOLY_BIN - bin directory

Categories¶

molecular_dynamics