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@ -18,7 +18,7 @@
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<PRE>pair_style style cutoff LJ_flag TORSION_flag
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</PRE>
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<UL><LI>style = <I>airebo</I> or <I>rebo</I>
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<LI>cutoff = LJ cutoff (sigma scale factor)
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<LI>cutoff = LJ cutoff (sigma scale factor) (AIREBO only)
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<LI>LJ_flag = 0/1 to turn off/on the LJ term (AIREBO only, optional)
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<LI>TORSION_flag = 0/1 to turn off/on the torsion term (AIREBO only, optional)
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</UL>
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pair_style airebo 2.5 1 0
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pair_coeff * * ../potentials/CH.airebo H C
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</PRE>
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<PRE>pair_style rebo 3.0
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<PRE>pair_style rebo
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pair_coeff * * ../potentials/CH.airebo H C
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</PRE>
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<P><B>Description:</B>
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@ -54,7 +54,7 @@ both or neither of the flags must be included. If both of the LJ an
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torsional terms are turned off, it becomes the 2nd-generation REBO
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potential, with a small caveat on the spline fitting procedure
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mentioned below. This can be specified directly as pair_style rebo
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with just a cutoff argument.
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with no additional arguments.
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</P>
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<P>The detailed formulas for this potential are given in
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<A HREF = "#Stuart">(Stuart)</A>; here we provide only a brief description.
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@ -14,7 +14,7 @@ pair_style rebo command :h3
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pair_style style cutoff LJ_flag TORSION_flag :pre
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style = {airebo} or {rebo}
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cutoff = LJ cutoff (sigma scale factor)
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cutoff = LJ cutoff (sigma scale factor) (AIREBO only)
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LJ_flag = 0/1 to turn off/on the LJ term (AIREBO only, optional)
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TORSION_flag = 0/1 to turn off/on the torsion term (AIREBO only, optional) :ul
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@ -24,7 +24,7 @@ pair_style airebo 3.0
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pair_style airebo 2.5 1 0
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pair_coeff * * ../potentials/CH.airebo H C :pre
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pair_style rebo 3.0
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pair_style rebo
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pair_coeff * * ../potentials/CH.airebo H C :pre
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[Description:]
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@ -50,7 +50,7 @@ both or neither of the flags must be included. If both of the LJ an
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torsional terms are turned off, it becomes the 2nd-generation REBO
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potential, with a small caveat on the spline fitting procedure
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mentioned below. This can be specified directly as pair_style rebo
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with just a cutoff argument.
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with no additional arguments.
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The detailed formulas for this potential are given in
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"(Stuart)"_#Stuart; here we provide only a brief description.
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