git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1648 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2008-03-19 22:51:12 +00:00
parent cf8e38d63f
commit ad6bfadf6c
26 changed files with 431 additions and 128 deletions

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@ -67,6 +67,14 @@ used to randomize the direction and magnitude of this force as
described in <A HREF = "#Dunweg">(Dunweg)</A>, where a uniform random number is used
(instead of a Gaussian random number) for speed.
</P>
<P>Note that the thermostat effect of this fix is applied to only the
translational degrees of freedom for the particles, which is an
important consideration if extended spherical or aspherical particles
which have rotational degrees of freedom are being thermostatted with
this fix. The translational degrees of freedom can also have a bias
velocity removed from them before thermostatting takes place; see the
description below.
</P>
<P>IMPORTANT NOTE: Unlike the <A HREF = "fix_nvt.html">fix nvt</A> command which
performs Nose/Hoover thermostatting AND time integration, this fix
does NOT perform time integration. It only modifies forces to effect
@ -111,10 +119,6 @@ generate its own unique seed and its own stream of random numbers.
Thus the dynamics of the system will not be identical on two runs on
different numbers of processors.
</P>
<P>The keyword <I>axes</I> can be used to specify which dimensions to add Ff
and Fr to. A flag of 0 means skip that dimension; a flag of 1 means
include that dimension. The default is 1 for all 3 dimensions.
</P>
<P>The keyword <I>scale</I> allows the damp factor to be scaled up or down by
the specified factor for atoms of that type. This can be useful when
different atom types have different sizes or masses. It can be used
@ -158,7 +162,7 @@ fix for access by various <A HREF = "Section_howto.html#4_15">output commands</A
<P><B>Related commands:</B>
</P>
<P><A HREF = "fix_nvt.html">fix nvt</A>, <A HREF = "fix_temp_rescale.html">fix temp/rescale</A>, <A HREF = "fix_viscous.html">fix
viscous</A>
viscous</A>, <A HREF = "fix_nvt.html">fix nvt</A>
</P>
<P><B>Default:</B>
</P>