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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4912 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-09-30 21:22:06 +00:00
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@ -41,7 +41,9 @@ with these parameters to tune their minimizations.
inner iteration which is steps along a one-dimensional line search in
a particular search direction. The <I>dmax</I> parameter is how far any
atom can move in a single line search in any dimension (x, y, or z).
Thus a value of 0.1 in real <A HREF = "units.html">units</A> means no atom will move
For the <I>quickmin</I> and <I>fire</I> minimization styles, the <I>dmax</I> setting
is how far any atom can move in a single iteration (timestep). Thus a
value of 0.1 in real <A HREF = "units.html">units</A> means no atom will move
further than 0.1 Angstroms in a single outer iteration. This prevents
highly overlapped atoms from being moved long distances (e.g. through
another atom) due to large forces.