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Bond/react doc tweaks #2782

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merged 2 commits into from May 27, 2021
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Bond/react doc tweaks #2782

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c723fe2
Update fix_bond_react.rst
jrgissing May 26, 2021
0121288
clarify docs
jrgissing May 26, 2021
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8 changes: 4 additions & 4 deletions doc/src/fix_bond_react.rst
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Expand Up @@ -17,7 +17,7 @@ Syntax
* ID, group-ID are documented in :doc:`fix <fix>` command.
* bond/react = style name of this fix command
* the common keyword/values may be appended directly after 'bond/react'
* this applies to all reaction specifications (below)
* common keywords apply to all reaction specifications
* common_keyword = *stabilization* or *reset_mol_ids*

.. parsed-literal::
Expand Down Expand Up @@ -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
Expand Down