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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5566 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-01-19 15:57:11 +00:00
parent 481e1705ad
commit 4b8beadb2f
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doc/neb.html
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@ -164,6 +164,10 @@ configurations along the MEP.
<P>A few other settings in your input script are required or advised to <P>A few other settings in your input script are required or advised to
perform a NEB calculation. perform a NEB calculation.
</P> </P>
<P>An atom map must be defined which it is not by default for <A HREF = "atom_style.html">atom_style
atomic</A> problems. The <A HREF = "atom_modify.html">atom_modify
map</A> command can be used to do this.
</P>
<P>The "atom_modify sort 0 0.0" command should be used to turn off atom <P>The "atom_modify sort 0 0.0" command should be used to turn off atom
sorting. sorting.
</P> </P>

4
doc/neb.txt
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@ -161,6 +161,10 @@ configurations along the MEP.
A few other settings in your input script are required or advised to A few other settings in your input script are required or advised to
perform a NEB calculation. perform a NEB calculation.
An atom map must be defined which it is not by default for "atom_style
atomic"_atom_style.html problems. The "atom_modify
map"_atom_modify.html command can be used to do this.
The "atom_modify sort 0 0.0" command should be used to turn off atom The "atom_modify sort 0 0.0" command should be used to turn off atom
sorting. sorting.