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doc typos

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jrgissing 2018-04-11 22:06:22 -06:00
parent 52446eed6d
commit 6e31b7da63
1 changed files with 6 additions and 6 deletions
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doc/src/fix_bond_react.txt
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@ -265,8 +265,8 @@ reaction mechanism into several reaction steps, each defined by a fix
bond/react. 2) While typically a bond is formed between the bonding bond/react. 2) While typically a bond is formed between the bonding
atom pairs specified in the pre-reacted molecule template, this is not atom pairs specified in the pre-reacted molecule template, this is not
required. 3) By reversing the order of the pre- and post-reacted required. 3) By reversing the order of the pre- and post-reacted
molecule template in another fix bond/react command, you can allow for molecule templates in another 'react' argument, you can allow for the
the possibility of one or more reverse reactions. possibility of one or more reverse reactions.
The optional keywords deal with the probability of a given reaction The optional keywords deal with the probability of a given reaction
occurring as well as the stable equilibration of each reaction site as occurring as well as the stable equilibration of each reaction site as
@ -287,7 +287,7 @@ equilibration time' should be tuned to be as small as possible while
retaining stability for a given system or reaction step. After a retaining stability for a given system or reaction step. After a
limited number of case studies, this number has been set to a default limited number of case studies, this number has been set to a default
of 60 timesteps. Ideally, it should be individually tuned for each fix of 60 timesteps. Ideally, it should be individually tuned for each fix
bond/react. Note that in some situations, decreasing rather than reaction step. Note that in some situations, decreasing rather than
increasing this parameter will result in an increase in stability. increasing this parameter will result in an increase in stability.
A few other considerations: A few other considerations:
@ -302,7 +302,7 @@ reaction:
fix 1 bond_react_MASTER_group temp/rescale 1 300 300 10 1 fix 1 bond_react_MASTER_group temp/rescale 1 300 300 10 1
NOTE: This command must be added after the fix bond/react command, and NOTE: This command must be added after the fix bond/react command, and
will apply to all reaction specifications. will apply to all reaction steps.
Computationally, each timestep this fix operates, it loops over Computationally, each timestep this fix operates, it loops over
neighbor lists and computes distances between pairs of atoms in the neighbor lists and computes distances between pairs of atoms in the
@ -338,8 +338,8 @@ minimization"_minimize.html.
[Restrictions:] [Restrictions:]
This fix is part of the USER-MISC package. It is only enabled if LAMMPS was This fix is part of the USER-MISC package. It is only enabled if
built with that package. See the "Making LAMMPS was built with that package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
[Related commands:] [Related commands:]