http://www.sklogwiki.org/SklogWiki/index.php?action=history&feed=atom&title=GULP 2026-04-28T13:58:37Z Revision history for this page on the wiki MediaWiki 1.41.0 http://www.sklogwiki.org/SklogWiki/index.php?title=GULP&diff=11181&oldid=prev 2011-02-17T10:54:15Z

<p>Created page with &quot;&#039;&#039;&#039;GULP&#039;&#039;&#039; (&#039;&#039;&#039;G&#039;&#039;&#039;eneral &#039;&#039;&#039;U&#039;&#039;&#039;tility &#039;&#039;&#039;L&#039;&#039;&#039;attice &#039;&#039;&#039;P&#039;&#039;&#039;rogram)&lt;ref&gt;[http://dx.doi.org/10.1039/A606455H Julian D. Gale &quot;GULP: A computer program for the symmetry-adapted sim...&quot;</p> <p><b>New page</b></p><div>&#039;&#039;&#039;GULP&#039;&#039;&#039; (&#039;&#039;&#039;G&#039;&#039;&#039;eneral &#039;&#039;&#039;U&#039;&#039;&#039;tility &#039;&#039;&#039;L&#039;&#039;&#039;attice &#039;&#039;&#039;P&#039;&#039;&#039;rogram)&lt;ref&gt;[http://dx.doi.org/10.1039/A606455H Julian D. Gale &quot;GULP: A computer program for the symmetry-adapted simulation of solids&quot;, Journal of the Chemical Society, Faraday Transactions &#039;&#039;&#039;93&#039;&#039;&#039; pp. 629-637 (1997)]&lt;/ref&gt;&lt;ref&gt;[http://dx.doi.org/10.1080/0892702031000104887 Julian D. Gale and Andrew L. Rohl &quot;The General Utility Lattice Program (GULP)&quot;, Molecular Simulation &#039;&#039;&#039;29&#039;&#039;&#039; pp. 291-341 (2003)]&lt;/ref&gt; is a [[Materials modelling and computer simulation codes |program]] for performing a variety of types of [[Computer simulation techniques |simulation]] on materials using [[Periodic boundary conditions |boundary conditions]] of 0-D ([[Realistic models | molecules]] and [[Atomic and molecular clusters | clusters]]), 1-D ([[polymers]]), 2-D ([[Intrinsic surface |surfaces]], [[Periodic boundary conditions#slab |slabs]] and [[grain boundaries]]), or 3-D (periodic solids). The focus of the code is on analytical solutions, through the use of [[lattice dynamics]], where possible, rather than on [[molecular dynamics]]. A variety of [[force fields]] can be used within GULP spanning the [[shell model]] for [[Ionic liquids |ionic materials]], molecular mechanics for organic systems, the [[embedded atom model]] for [[Metallic liquids |metals]] and the reactive [[REBO potential]] for [[hydrocarbons]]. Analytic derivatives are included up to at least second order for most force fields, and to third order for many. <br /> ==References==<br /> &lt;references/&gt;<br /> ==External links==<br /> *[https://projects.ivec.org/gulp/ GULP home page]<br /> [[Category: Materials modelling and computer simulation codes]]</div>

Carl McBride