Editing DL POLY
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DL POLY can use either the [[SHAKE]] or the [[RATTLE]] algorithms as well as [[Q-SHAKE]] <ref> source: DL_POLY User Manual (v. 2.20) § 2.5.2</ref>. | DL POLY can use either the [[SHAKE]] or the [[RATTLE]] algorithms as well as [[Q-SHAKE]] <ref> source: DL_POLY User Manual (v. 2.20) § 2.5.2</ref>. | ||
==Versions of DL_POLY== | ==Versions of DL_POLY== | ||
The current version of DL_POLY is DL_POLY_4 | The current version of DL_POLY is DL_POLY_4 | ||
==== | ====Previos versions==== | ||
;DL_POLY_2 | ;DL_POLY_2 | ||
DL_POLY_2 was designed for simulations of up to 30,000 atoms and on parallel computers using up to 100 processors. | DL_POLY_2 was designed for simulations of up to 30,000 atoms and on parallel computers using up to 100 processors. | ||
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<references/> | <references/> | ||
==External links== | ==External links== | ||
*[http://www.stfc.ac.uk/ | *[http://www.stfc.ac.uk/cse/25526.aspx DL_POLY Home page] | ||
*[http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/MANUALS/USRMAN2.20.pdf DL_POLY_2.20 User Manual (PDF)] | *[http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/MANUALS/USRMAN2.20.pdf DL_POLY_2.20 User Manual (PDF)] | ||
*[http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/MANUALS/USRMAN3.10.pdf DL_POLY_3.10 User Manual (PDF)] | *[http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/MANUALS/USRMAN3.10.pdf DL_POLY_3.10 User Manual (PDF)] | ||
[[Category: Materials modelling and computer simulation codes]] | [[Category: Materials modelling and computer simulation codes]] |