Molecular Simulation with DL_POLY Classic
SC Department, STFC Daresbury Laboratory
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 Computational Chemistry Group,
at Daresbury Laboratory under the auspices of the Engineering and
Physical Sciences Research Council
the EPSRC's Collaborative Computational Project for the
Computer Simulation of Condensed Phases .
DL_POLY Classic can be executed as a serial or a parallel application.
The code achieves parallelisation using the Replicated Data
strategy which is suitable for homogeneous, distributed-memory, parallel
computers. The code is useful for simulations of up to 30,000 atoms
with good parallel performance on up to 100 processors, though in some
circumstances it can exceed or fail to reach these limits.
DL_POLY simulation of DNA in water
The copyright to the software is the property of the Science & Technology
and the code is made available under the
Licence, which permits open access to the source. No registration is
required to obtain the software and no support of any kind is offered
or implied. Advice on using all DL_POLY packages may be obtained from the
DL_POLY Online Forum.
A full description of DL_POLY Classic may be obtained from the
DL_POLY Classic User Manual (PDF)
DL_POLY simulation of an alkali silicate glass
Important DL_POLY Classic is distinct from the package known as
DL_POLY, which is also available from Daresbury Laboratory as
DL_POLY_4. The DL_POLY Classic licence does not apply to
DL_POLY Java GUI
A Graphical User Interface (GUI) is available for DL_POLY Classic,
based on the Java language from Sun Microsystems.
Please see the Java GUI Manual (PDF)
for a detailed description.
Commercial organisations interested in joint ventures with
Daresbury Laboratory involving the DL_POLY Classic software
at STFC Daresbury Laboratory.
Useful DL_POLY Related Pages
For more information about DL_POLY please contact
Prof. William Smith.
Last modified April 2012