git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2781 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-04-29 16:54:14 +00:00
parent 16ef076c31
commit c0b782aaa2
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</PRE>
<P><B>Examples:</B>
</P>
<PRE>temperature 2nd middle ramp vx 0 8 y 2 12 units lattice
<PRE>compute 2nd middle temp/ramp vx 0 8 y 2 12 units lattice
</PRE>
<P><B>Description:</B>
</P>
<P>Define a computation that calculates the temperature of a group of
atoms, after subtracting out an imposed velocity on the system before
atoms, after subtracting out an ramped velocity profile before
computing the kinetic energy. A compute of this style can be used by
any command that computes a temperature,
e.g. <A HREF = "thermo_modify.html">thermo_modify</A>, <A HREF = "fix_temp_rescale.html">fix
temp/rescale</A>, <A HREF = "fix_npt.html">fix npt</A>, etc.
</P>
<P>The meaning of the arguments for this command is the same as for the
<A HREF = "velocity.html">velocity ramp</A> command which was presumably used to
impose the velocity.
<P>The meaning of the arguments for this command which define the
velocity ramp are the same as for the <A HREF = "velocity.html">velocity ramp</A>
command which was presumably used to impose the velocity.
</P>
<P>After the ramp velocity has been subtracted from the specified
dimension for each atom, the temperature is calculated by the formula
KE = dim/2 N k T, where KE = total kinetic energy of the group of
atoms (sum of 1/2 m v^2), dim = 2 or 3 = dimensionality of the
simulation, N = number of atoms in the group, k = Boltzmann constant,
and T = temperature.
</P>
<P>The <I>units</I> keyword determines the meaning of the distance units used
for coordinates (c1,c2) and velocities (vlo,vhi). A <I>box</I> value
@ -93,8 +100,8 @@ the simulation.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "compute_temp.html">compute temp</A>, <A HREF = "compute_temp_region.html">compute
temp/region</A>, <A HREF = "compute_temp_deform.html">compute
<P><A HREF = "compute_temp.html">compute temp</A>, <A HREF = "compute_temp_profile.html">compute
temp/profie</A>, <A HREF = "compute_temp_deform.html">compute
temp/deform</A>, <A HREF = "compute_pressure.html">compute
pressure</A>
</P>