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sjplimp
2010-06-16 22:48:14 +00:00
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doc/fix_nh.html
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@ -231,7 +231,7 @@ barostat variables.
</P> </P>
<P>The <I>mtk</I> keyword controls whether or not the correction terms due to <P>The <I>mtk</I> keyword controls whether or not the correction terms due to
Martyna, Tuckerman, and Klein are included in the equations of motion Martyna, Tuckerman, and Klein are included in the equations of motion
<A HREF = "#Martyna1994">(Martyna1994)</A>. Specifying <I>no</I> reproduces the original <A HREF = "#Martyna">(Martyna)</A>. Specifying <I>no</I> reproduces the original
Hoover barostat, whose volume probability distribution function Hoover barostat, whose volume probability distribution function
differs from the true NPT and NPH ensembles by a factor of 1/V. Hence differs from the true NPT and NPH ensembles by a factor of 1/V. Hence
using <I>yes</I> is more correct, but in many cases the difference is using <I>yes</I> is more correct, but in many cases the difference is