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@ -23,7 +23,7 @@
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<P><B>Examples:</B>
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</P>
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<PRE>fix 1 all nve
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fix 3 all nvt 300.0 300.0 0.01
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fix 3 all nvt temp 300.0 300.0 0.01
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fix mine top setforce 0.0 NULL 0.0
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</PRE>
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<P><B>Description:</B>
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@ -20,7 +20,7 @@ args = arguments used by a particular style :ul
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[Examples:]
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fix 1 all nve
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fix 3 all nvt 300.0 300.0 0.01
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fix 3 all nvt temp 300.0 300.0 0.01
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fix mine top setforce 0.0 NULL 0.0 :pre
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[Description:]
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@ -86,7 +86,8 @@ by the actual dimension in z. The recommended value is 3.0. A larger
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value is inefficient; a smaller value introduces unwanted slab-slab
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interactions. The use of fixed boundaries in z means that the user
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must prevent particle migration beyond the initial z-bounds, typically
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by providing a wall-style fix.
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by providing a wall-style fix. The methodology behind the <I>slab</I>
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option is explained in the paper by <A HREF = "#Yeh">(Yeh)</A>.
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</P>
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<P><B>Restrictions:</B> none
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</P>
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@ -99,4 +100,10 @@ by providing a wall-style fix.
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<P>The option defaults are mesh = 0 0 0, order = 5, gewald = 0.0, and
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slab = 1.0.
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</P>
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<HR>
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<A NAME = "Yeh"></A>
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<P><B>(Yeh)</B> Yeh and Berkowitz, J Chem Phys, 111, 3155 (1999).
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</P>
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</HTML>
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@ -80,7 +80,8 @@ by the actual dimension in z. The recommended value is 3.0. A larger
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value is inefficient; a smaller value introduces unwanted slab-slab
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interactions. The use of fixed boundaries in z means that the user
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must prevent particle migration beyond the initial z-bounds, typically
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by providing a wall-style fix.
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by providing a wall-style fix. The methodology behind the {slab}
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option is explained in the paper by "(Yeh)"_#Yeh.
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[Restrictions:] none
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@ -92,3 +93,8 @@ by providing a wall-style fix.
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The option defaults are mesh = 0 0 0, order = 5, gewald = 0.0, and
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slab = 1.0.
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:line
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:link(Yeh)
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[(Yeh)] Yeh and Berkowitz, J Chem Phys, 111, 3155 (1999).
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