This commit is contained in:
jrgissing 2019-10-20 13:21:20 -06:00
parent a69bd0405a
commit e44402326f
1 changed files with 2 additions and 2 deletions

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@ -339,7 +339,7 @@ calculated in the same manner as for example
options for additional temperature averaging or velocity-biased
temperature calculations. A uniform random number between 0 and 1 is
generated using {seed}; if this number is less than the result of the
Arrhenius equation above, the reaction is permitted occur.
Arrhenius equation above, the reaction is permitted to occur.
Once a reaction site has been successfully identified, data structures
within LAMMPS that store bond topology are updated to reflect the
@ -416,7 +416,7 @@ will apply to all reactions.
Computationally, each timestep this fix operates, it loops over
neighbor lists (for bond-forming reactions) and computes distances
between pairs of atoms in the list. It also communicates between
neighboring processors to coordinate which bonds are created and/or
neighboring processors to coordinate which bonds are created and/or
removed. All of these operations increase the cost of a timestep. Thus
you should be cautious about invoking this fix too frequently.