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Added note about ev 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14785 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps 2016-03-24 22:40:27 +00:00
parent 154eb1f886
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6
doc/pair_reax.txt
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@ -82,7 +82,11 @@ be specified.
Two examples using {pair_style reax} are provided in the examples/reax
sub-directory, along with corresponding examples for
"pair_style reax/c"_pair_reax_c.html.
"pair_style reax/c"_pair_reax_c.html. Note that while the energy and force
calculated by both of these pair styles match very closely, the
contributions due to the valence angles differ slightly due to
the fact that with {pair_style reax/c} the default value of {thb_cutoff_sq}
is 0.00001, while for {pair_style reax} it is hard-coded to be 0.001.
Use of this pair style requires that a charge be defined for every
atom since the {reax} pair style performs a charge equilibration (QEq)