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document the change in mass handling

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Axel Kohlmeyer
2023-02-26 13:52:31 -05:00
parent 0b5acdca51
commit 8368b78f23
1 changed files with 6 additions and 5 deletions
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11
doc/src/pair_eam.rst
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@ -116,11 +116,12 @@ are parameterized in terms of LAMMPS :doc:`metal units <units>`.
.. note::
Note that unlike for other potentials, cutoffs for EAM
potentials are not set in the pair_style or pair_coeff command; they
are specified in the EAM potential files themselves. Likewise, the
EAM potential files list atomic masses; thus you do not need to use
the :doc:`mass <mass>` command to specify them.
Note that unlike for other potentials, cutoffs for EAM potentials are not
set in the pair_style or pair_coeff command; they are specified in the EAM
potential files themselves. Likewise, valid EAM potential files usually
contain atomic masses; thus you may not need to use the :doc:`mass <mass>`
command to specify them, unless the potential file uses a dummy value (e.g.
0.0). LAMMPS will print a warning, if this is the case.
There are web sites that distribute and document EAM potentials stored
in DYNAMO or other formats: