Commit fbee21f4 authored by jrgissing's avatar jrgissing
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distance constraint: clarify use case in docs

parent 7a10ac20
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+3 −1
Original line number Diff line number Diff line
@@ -277,7 +277,9 @@ distance {ID1} {ID2} {rmin} {rmax} :pre

where 'distance' is the required keyword, {ID1} and {ID2} are
pre-reaction atom IDs, and these two atoms must be separated by a
distance between {rmin} and {rmax} for the reaction to occur.
distance between {rmin} and {rmax} for the reaction to occur. This
constraint can be used to enforce a certain orientation between
reacting molecules.

Once a reaction site has been successfully identified, data structures
within LAMMPS that store bond topology are updated to reflect the