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multiscale
lammps
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fbee21f4
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fbee21f4
authored
6 years ago
by
jrgissing
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distance constraint: clarify use case in docs
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7a10ac20
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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
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