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Update fix_bond_react.rst

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Jacob Gissinger
2021-05-25 23:54:43 -04:00
parent 2fa389ed4a
commit c723fe2345
1 changed files with 3 additions and 3 deletions
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doc/src/fix_bond_react.rst
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@ -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