From fbee21f4950b7337f7ad4b87bbe847fa61d0357c Mon Sep 17 00:00:00 2001 From: jrgissing <jrgiss05@gmail.com> Date: Tue, 22 Jan 2019 23:22:51 -0700 Subject: [PATCH] distance constraint: clarify use case in docs --- doc/src/fix_bond_react.txt | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/doc/src/fix_bond_react.txt b/doc/src/fix_bond_react.txt index 4eced39207..c5b07bb973 100644 --- a/doc/src/fix_bond_react.txt +++ b/doc/src/fix_bond_react.txt @@ -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 -- GitLab