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small corrections

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Axel Kohlmeyer
2024-02-22 09:15:18 -05:00
parent 325a7d99d6
commit 3a82e76607
1 changed files with 7 additions and 7 deletions
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doc/src/pair_airebo.rst
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@ -156,7 +156,7 @@ pair_coeff command:
The first 2 arguments must be \* \* so as to span all LAMMPS atom types. The first 2 arguments must be \* \* so as to span all LAMMPS atom types.
The first three C arguments map LAMMPS atom types 1,2,3 to the C The first three C arguments map LAMMPS atom types 1,2,3 to the C
element in the AIREBO file. The final H argument maps LAMMPS atom element in the AIREBO file. The final H argument maps LAMMPS atom
type 4 to the H element in the SW file. If a mapping value is type 4 to the H element in the AIREBO file. If a mapping value is
specified as NULL, the mapping is not performed. This can be used specified as NULL, the mapping is not performed. This can be used
when a *airebo* potential is used as part of the *hybrid* pair style. when a *airebo* potential is used as part of the *hybrid* pair style.
The NULL values are placeholders for atom types that will be used with The NULL values are placeholders for atom types that will be used with
@ -222,12 +222,12 @@ enabled if LAMMPS was built with that package. See the :doc:`Build package <Bui
These pair potentials require the :doc:`newton <newton>` setting to be These pair potentials require the :doc:`newton <newton>` setting to be
"on" for pair interactions. "on" for pair interactions.
The CH.airebo and CH.airebo-m potential files provided with LAMMPS The CH.airebo and CH.airebo-m potential files provided with LAMMPS (see
(see the potentials directory) are parameterized for metal :doc:`units <units>`. the potentials directory) are parameterized for metal :doc:`units
You can use the AIREBO, AIREBO-M or REBO potential with any LAMMPS units, <units>`. You can use the pair styles with *any* LAMMPS units, but you
but you would need to create your own AIREBO or AIREBO-M potential file would need to create your own AIREBO or AIREBO-M potential file with
with coefficients listed in the appropriate units, if your simulation coefficients listed in the appropriate units, if your simulation does
does not use "metal" units. not use "metal" units.
The pair styles provided here **only** support potential files parameterized The pair styles provided here **only** support potential files parameterized
for the elements carbon and hydrogen (designated with "C" and "H" in the for the elements carbon and hydrogen (designated with "C" and "H" in the