Difference between revisions of "DL POLY"
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| − | + | Run <code>module spider {{#var:app}}</code> to find out what environment modules are available for this application. | |
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==System Variables== | ==System Variables== | ||
Revision as of 19:32, 16 February 2018
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_{{#uppercase:dlpoly}}_DIR - installation directory
- HPC_{{#uppercase:dlpoly}}_BIN - executable directory
- HPC_{{#uppercase:dlpoly}}_LIB - library directory