Difference between revisions of "DL POLY"
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Latest revision as of 17:00, 6 June 2022
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