DL POLY

From UFRC
Revision as of 21:21, 6 December 2019 by Moskalenko (talk | contribs) (Text replacement - "#uppercase" to "uc")
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

Description

dlpoly website  
DL_POLY is a general purpose classical molecular dynamics (MD) simulation software developed at Daresbury Laboratory by I.T. Todorov and W. Smith.

DL_POLY Classic is transformed from DL_POLY2 and available as open source under the BSD at CCPForge.

Environment Modules

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

System Variables

  • HPC_DLPOLY_DIR - installation directory
  • HPC_DLPOLY_BIN - executable directory
  • HPC_DLPOLY_LIB - library directory