forked from lijiext/lammps
doc typos
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@ -265,8 +265,8 @@ reaction mechanism into several reaction steps, each defined by a fix
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bond/react. 2) While typically a bond is formed between the bonding
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atom pairs specified in the pre-reacted molecule template, this is not
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required. 3) By reversing the order of the pre- and post-reacted
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molecule template in another fix bond/react command, you can allow for
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the possibility of one or more reverse reactions.
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molecule templates in another 'react' argument, you can allow for the
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possibility of one or more reverse reactions.
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The optional keywords deal with the probability of a given reaction
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occurring as well as the stable equilibration of each reaction site as
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@ -287,7 +287,7 @@ equilibration time' should be tuned to be as small as possible while
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retaining stability for a given system or reaction step. After a
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limited number of case studies, this number has been set to a default
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of 60 timesteps. Ideally, it should be individually tuned for each fix
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bond/react. Note that in some situations, decreasing rather than
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reaction step. Note that in some situations, decreasing rather than
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increasing this parameter will result in an increase in stability.
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A few other considerations:
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@ -302,7 +302,7 @@ reaction:
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fix 1 bond_react_MASTER_group temp/rescale 1 300 300 10 1
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NOTE: This command must be added after the fix bond/react command, and
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will apply to all reaction specifications.
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will apply to all reaction steps.
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Computationally, each timestep this fix operates, it loops over
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neighbor lists and computes distances between pairs of atoms in the
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@ -338,8 +338,8 @@ minimization"_minimize.html.
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[Restrictions:]
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This fix is part of the USER-MISC package. It is only enabled if LAMMPS was
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built with that package. See the "Making
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This fix is part of the USER-MISC package. It is only enabled if
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LAMMPS was built with that package. See the "Making
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LAMMPS"_Section_start.html#start_3 section for more info.
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[Related commands:]
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