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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1111 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-11-01 16:46:50 +00:00
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doc/compute_pressure.html
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@ -25,13 +25,13 @@
</PRE>
<P><B>Description:</B>
</P>
<P>Define a computation that calculates the pressure of atoms averaged
over the entire system. The specified group must be "all". See the
<A HREF = "dump.html">dump custom</A> command for how to dump the per-atom stress
tensor if you want more localized information about pressure (stress)
in your system.
<P>Define a computation that calculates the pressure of the entire system
of atoms. The specified group must be "all". See the <A HREF = "compute_stress_atom.html">compute
stress/atom</A> command if you want per-atom
pressure (stress). These per-atom values could be summed for a group
of atoms via the <A HREF = "compute_sum.html">compute sum</A> command.
</P>
<P>The pressure is computed by the standard formula
<P>The pressure is computed by the formula
</P>
<CENTER><IMG SRC = "Eqs/pressure.jpg">
</CENTER>
@ -62,6 +62,14 @@ excludes frozen atoms or other degrees of freedom.
where the DOF is specified by the temperature compute. See the
various <A HREF = "compute.html">compute temperature</A> styles for details.
</P>
<P>A compute of this style with the ID of "thermo_press" is created when
LAMMPS starts up, as if this command were in the input script:
</P>
<PRE>compute thermo_press all pressure thermo_temp
</PRE>
<P>where "thermo_temp" is the ID of a similarly defined compute of style
"temp". See the "thermo_style" command for more details.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B>