Talk:Materials modelling and computer simulation codes

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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)? 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)