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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1891 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-06-06 23:21:53 +00:00
parent b4de99722d
commit a0ecd2e763
2 changed files with 38 additions and 12 deletions
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25
doc/fix_spring_self.html
View File

@ -41,12 +41,25 @@ same in a restarted simulation. See the
a fix in an input script that reads a restart file, so that the a fix in an input script that reads a restart file, so that the
operation of the fix continues in an uninterrupted fashion. operation of the fix continues in an uninterrupted fashion.
</P> </P>
<P>None of the <A HREF = "fix_modify.html">fix_modify</A> options are relevant to this <P>The <A HREF = "fix_modify.html">fix_modify</A> <I>energy</I> option is supported by this
fix. No global scalar or vector or per-atom quantities are stored by fix to add the energy stored in the per-atom springs to the system's
this fix for access by various <A HREF = "Section_howto.html#4_15">output potential energy as part of <A HREF = "thermo_style.html">thermodynamic output</A>.
commands</A>. No parameter of this fix can be </P>
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command. <P>This fix computes a scalar energy which can be accessed by various
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>. <A HREF = "Section_howto.html#4_15">output commands</A>. The scalar value
calculated by this fix is "extensive", meaning it scales with the
number of atoms in the simulation.
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command.
</P>
<P>The forces due to this fix are imposed during an energy minimization,
invoked by the <A HREF = "minimize.html">minimize</A> command.
</P>
<P>IMPORTANT NOTE: If you want the per-atom spring energy to be included
in the total potential energy of the system (the quantity being
minimized), you MUST enable the <A HREF = "fix_modify.html">fix_modify</A> <I>energy</I>
option for this fix.
</P> </P>
<P><B>Restrictions:</B> none <P><B>Restrictions:</B> none
</P> </P>

25
doc/fix_spring_self.txt
View File

@ -38,12 +38,25 @@ same in a restarted simulation. See the
a fix in an input script that reads a restart file, so that the a fix in an input script that reads a restart file, so that the
operation of the fix continues in an uninterrupted fashion. operation of the fix continues in an uninterrupted fashion.
None of the "fix_modify"_fix_modify.html options are relevant to this The "fix_modify"_fix_modify.html {energy} option is supported by this
fix. No global scalar or vector or per-atom quantities are stored by fix to add the energy stored in the per-atom springs to the system's
this fix for access by various "output potential energy as part of "thermodynamic output"_thermo_style.html.
commands"_Section_howto.html#4_15. No parameter of this fix can be
used with the {start/stop} keywords of the "run"_run.html command. This fix computes a scalar energy which can be accessed by various
This fix is not invoked during "energy minimization"_minimize.html. "output commands"_Section_howto.html#4_15. The scalar value
calculated by this fix is "extensive", meaning it scales with the
number of atoms in the simulation.
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command.
The forces due to this fix are imposed during an energy minimization,
invoked by the "minimize"_minimize.html command.
IMPORTANT NOTE: If you want the per-atom spring energy to be included
in the total potential energy of the system (the quantity being
minimized), you MUST enable the "fix_modify"_fix_modify.html {energy}
option for this fix.
[Restrictions:] none [Restrictions:] none