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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2492 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-01-16 14:40:21 +00:00
parent cc05e1e854
commit cb4abdd9f5
2 changed files with 36 additions and 9 deletions
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22
doc/fix_spring.html
View File

@ -94,8 +94,15 @@ last example holds the ion a distance 5 away from the pore axis
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
are relevant to this fix.
files</A>.
</P>
<P>The <A HREF = "fix_modify.html">fix_modify</A> <I>energy</I> option is supported by this
fix to add the energy stored in the spring to the system's potential
energy as part of <A HREF = "thermo_style.html">thermodynamic output</A>.
</P>
<P>This fix computes a scalar energy which can be accessed by various
<A HREF = "Section_howto.html#4_15">output commands</A>. This energy is spring
energy = 0.5 * K * r^2.
</P>
<P>This fix computes a 3-vector of forces, which can be accessed by
various <A HREF = "Section_howto.html#4_15">output commands</A>. This is the total
@ -104,8 +111,15 @@ force on the group of atoms by the spring. In the case of the
negative of the force on the 2nd group (group-ID2).
</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. This fix is not invoked during <A HREF = "minimize.html">energy
minimization</A>.
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 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><B>Restrictions:</B> none
</P>

23
doc/fix_spring.txt
View File

@ -87,8 +87,15 @@ last example holds the ion a distance 5 away from the pore axis
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart
files"_restart.html. None of the "fix_modify"_fix_modify.html options
are relevant to this fix.
files"_restart.html.
The "fix_modify"_fix_modify.html {energy} option is supported by this
fix to add the energy stored in the spring to the system's potential
energy as part of "thermodynamic output"_thermo_style.html.
This fix computes a scalar energy which can be accessed by various
"output commands"_Section_howto.html#4_15. This energy is spring
energy = 0.5 * K * r^2.
This fix computes a 3-vector of forces, which can be accessed by
various "output commands"_Section_howto.html#4_15. This is the total
@ -97,8 +104,15 @@ force on the group of atoms by the spring. In the case of the
negative of the force on the 2nd group (group-ID2).
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy
minimization"_minimize.html.
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 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
@ -107,5 +121,4 @@ minimization"_minimize.html.
"fix drag"_fix_drag.html, "fix spring/self"_fix_spring_self.html,
"fix spring/rg"_fix_spring_rg.html, "fix smd"_fix_smd.html
[Default:] none