From c723fe234564015cafbe2b2d91dc6ac0410afd89 Mon Sep 17 00:00:00 2001 From: Jacob Gissinger Date: Tue, 25 May 2021 23:54:43 -0400 Subject: [PATCH] Update fix_bond_react.rst --- doc/src/fix_bond_react.rst | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/doc/src/fix_bond_react.rst b/doc/src/fix_bond_react.rst index f42952ecdc..17b69ca185 100644 --- a/doc/src/fix_bond_react.rst +++ b/doc/src/fix_bond_react.rst @@ -525,12 +525,12 @@ reaction can be imposed as follows: .. code-block:: LAMMPS -compute 1 all pe/atom # in LAMMPS input script -variable my_pe atom c_1 # in LAMMPS input script + compute 1 all pe/atom # in LAMMPS input script + variable my_pe atom c_1 # in LAMMPS input script .. code-block:: LAMMPS -custom "rxnsum(v_my_pe) > 100" # in Constraints section of map file + custom "rxnsum(v_my_pe) > 100" # in Constraints section of map file The above example prevents the reaction from occurring unless the total potential energy of the reaction site is above 100. The variable