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distance constraint: clarify use case in docs

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jrgissing 2019-01-22 23:22:51 -07:00
parent 7a10ac2019
commit fbee21f495
1 changed files with 3 additions and 1 deletions
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doc/src/fix_bond_react.txt
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@ -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