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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3949 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-04-02 16:51:06 +00:00
parent 7681ede98d
commit aa618da536
160 changed files with 2639 additions and 2811 deletions
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6
doc/compute_temp_region.html
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@ -36,8 +36,8 @@ temp/rescale</A>, etc.
<P>Note that a <I>region</I>-style temperature can be used to thermostat with
<A HREF = "fix_temp_rescale.html">fix temp/rescale</A> or <A HREF = "fix_langevin.html">fix
langevin</A>, but should probably not be used with
Nose/Hoover style fixes (<A HREF = "fix_nvt.html">fix nvt</A>, <A HREF = "fix_npt.html">fix
npt</A>, or <A HREF = "fix_nph.html">fix nph</A>), if the
Nose/Hoover style fixes (<A HREF = "fix_nh.html">fix nvt</A>, <A HREF = "fix_nh.html">fix
npt</A>, or <A HREF = "fix_nh.html">fix nph</A>), if the
degrees-of-freedom included in the computed T varies with time.
</P>
<P>The temperature is calculated by the formula KE = dim/2 N k T, where
@ -66,7 +66,7 @@ compute is used with a fix command that performs thermostatting then
this bias will be subtracted from each atom, thermostatting of the
remaining thermal velocity will be performed, and the bias will be
added back in. Thermostatting fixes that work in this way include
<A HREF = "fix_nvt.html">fix nvt</A>, <A HREF = "fix_temp_rescale.html">fix temp/rescale</A>, <A HREF = "fix_temp_berendsen">fix
<A HREF = "fix_nh.html">fix nvt</A>, <A HREF = "fix_temp_rescale.html">fix temp/rescale</A>, <A HREF = "fix_temp_berendsen">fix
temp/berendsen</A>, and <A HREF = "fix_langevin.html">fix
langevin</A>. This means any of the thermostatting
fixes can operate on a geometric region of atoms, as defined by this