Difference between revisions of "DL POLY"

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==System Variables==
==System Variables==
* HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory
* HPC_{{uc:{{#var:app}}}}_DIR - installation directory
* HPC_{{#uppercase:{{#var:app}}}}_BIN - executable directory
* HPC_{{uc:{{#var:app}}}}_BIN - executable directory
* HPC_{{#uppercase:{{#var:app}}}}_LIB - library directory
* HPC_{{uc:{{#var:app}}}}_LIB - library directory
{{#if: {{#var: exe}}|==How To Run==
{{#if: {{#var: exe}}|==How To Run==

Revision as of 21:21, 6 December 2019


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