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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4917 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-09-30 22:30:55 +00:00
parent f248ae9071
commit e300e7b7b0
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doc/minimize.html
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@ -66,6 +66,12 @@ damped dynamics using an Euler integration step. Thus they require a
<A HREF = "timestep.html">timestep</A> be defined, typically the same value used for
<A HREF = "run.html">running dynamics</A> with the system.
</P>
<P>IMPORTANT NOTE: <I>Etol</I> should be set to 0.0 when using the <I>quickmin</I>
or <I>fire</I> <A HREF = "min_style.html">minimization styles</A>. This is because they
periodically reset velocities to 0.0 and take a zero-length step which
will appear as a 0.0 energy change, stopping the minimizer if <I>etol</I>
is finite.
</P>
<P>The objective function being minimized is the total potential energy
of the system as a function of the N atom coordinates:
</P>