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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4771 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2010-09-10 17:31:34 +00:00
parent 9a0acc9585
commit 0fbad8e8b5
2 changed files with 18 additions and 4 deletions
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11
doc/fix_temp_berendsen.html
View File

@ -104,8 +104,15 @@ you have defined to this fix which will be used in its thermostatting
procedure, as described above. For consistency, the group used by
this fix and by the compute should be the same.
</P>
<P>No global or per-atom quantities are stored by this fix for access by
various <A HREF = "Section_howto.html#4_15">output commands</A>.
<P>The <A HREF = "fix_modify.html">fix_modify</A> <I>energy</I> option is supported by this
fix to add the energy change implied by a velocity rescaling to the
system's potential energy as part of <A HREF = "thermo_style.html">thermodynamic
output</A>.
</P>
<P>This fix computes a global scalar which can be accessed by various
<A HREF = "Section_howto.html#4_15">output commands</A>. The scalar is the
cummulative energy change due to this fix. The scalar value
calculated by this fix is "extensive".
</P>
<P>This fix can ramp its target temperature over multiple runs, using the
<I>start</I> and <I>stop</I> keywords of the <A HREF = "run.html">run</A> command. See the

11
doc/fix_temp_berendsen.txt
View File

@ -101,8 +101,15 @@ you have defined to this fix which will be used in its thermostatting
procedure, as described above. For consistency, the group used by
this fix and by the compute should be the same.
No global or per-atom quantities are stored by this fix for access by
various "output commands"_Section_howto.html#4_15.
The "fix_modify"_fix_modify.html {energy} option is supported by this
fix to add the energy change implied by a velocity rescaling to the
system's potential energy as part of "thermodynamic
output"_thermo_style.html.
This fix computes a global scalar which can be accessed by various
"output commands"_Section_howto.html#4_15. The scalar is the
cummulative energy change due to this fix. The scalar value
calculated by this fix is "extensive".
This fix can ramp its target temperature over multiple runs, using the
{start} and {stop} keywords of the "run"_run.html command. See the