Difference between revisions of "DL POLY"
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==System Variables== | ==System Variables== | ||
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_DIR - installation directory |
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_BIN - executable directory |
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_LIB - library directory |
<!--Run--> | <!--Run--> | ||
{{#if: {{#var: exe}}|==How To Run== | {{#if: {{#var: exe}}|==How To Run== | ||
Revision as of 21:21, 6 December 2019
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