Talk:Materials modelling and computer simulation codes: Difference between revisions

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(Created page with "== Software for computing higher order distribution functions == Hello! Is there a software today which allows to compute three-, four-particle distribution functions for simple...")
 
 
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Hello! Is there a software today which allows to compute three-, four-particle distribution functions for simple liquids (LJ)? [[Special:Contributions/188.32.149.164|188.32.149.164]] 18:41, 28 January 2012 (CET)
Hello! Is there a software today which allows to compute three-, four-particle distribution functions for simple liquids (LJ)? [[Special:Contributions/188.32.149.164|188.32.149.164]] 18:41, 28 January 2012 (CET)
:Most simulation codes output a [[pair distribution function]], such as the [[radial distribution function]] by default. However, for higher order distribution functions I suspect one would probably have to write the routine oneself. --[[User:Carl McBride | <b><FONT COLOR="#8B3A3A">Carl McBride</FONT></b>]] ([[User_talk:Carl_McBride |talk]]) 11:43, 30 January 2012 (CET)

Latest revision as of 12:43, 30 January 2012

Software for computing higher order distribution functions[edit]

Hello! Is there a software today which allows to compute three-, four-particle distribution functions for simple liquids (LJ)? 188.32.149.164 18:41, 28 January 2012 (CET)

Most simulation codes output a pair distribution function, such as the radial distribution function by default. However, for higher order distribution functions I suspect one would probably have to write the routine oneself. -- Carl McBride (talk) 11:43, 30 January 2012 (CET)