diff --git a/doc/src/fix_bond_react.txt b/doc/src/fix_bond_react.txt index 85b70f34d6b22e6fc9b7e72db7ccdcd4a1bce509..a225bcb3fb837147f710dea9d562e4f84d00f0a5 100644 --- a/doc/src/fix_bond_react.txt +++ b/doc/src/fix_bond_react.txt @@ -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 atom pairs specified in the pre-reacted molecule template, this is not required. 3) By reversing the order of the pre- and post-reacted -molecule template in another fix bond/react command, you can allow for -the possibility of one or more reverse reactions. +molecule templates in another 'react' argument, you can allow for the +possibility of one or more reverse reactions. The optional keywords deal with the probability of a given reaction 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 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 -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. A few other considerations: @@ -302,7 +302,7 @@ reaction: 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 -will apply to all reaction specifications. +will apply to all reaction steps. Computationally, each timestep this fix operates, it loops over neighbor lists and computes distances between pairs of atoms in the @@ -338,8 +338,8 @@ minimization"_minimize.html. [Restrictions:] -This fix is part of the USER-MISC package. It is only enabled if LAMMPS was -built with that package. See the "Making +This fix is part of the USER-MISC package. It is only enabled if +LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. [Related commands:]