diff --git a/doc/src/pair_meam_spline.rst b/doc/src/pair_meam_spline.rst index b5c94385fa..6bedb9b4fb 100644 --- a/doc/src/pair_meam_spline.rst +++ b/doc/src/pair_meam_spline.rst @@ -20,7 +20,7 @@ Examples pair_style meam/spline pair_coeff * * Ti.meam.spline Ti - pair_coeff * * Ti.meam.spline Ti Ti Ti + pair_coeff * * Ti.meam.spline Ti O Description """"""""""" @@ -84,23 +84,22 @@ where N is the number of LAMMPS atom types: See the :doc:`pair_coeff ` doc page for alternate ways to specify the path for the potential file. -As an example, imagine the Ti.meam.spline file has values for Ti (old style). If -your LAMMPS simulation has 3 atoms types and they are all to be -treated with this potentials, you would use the following pair_coeff -command: +As an example, imagine the Ti.meam.spline file has values for Ti (old style). +In that case your LAMMPS simulation may only have one atom type which has +to be mapped to the Ti element as follows: .. code-block:: LAMMPS - pair_coeff * * Ti.meam.spline Ti Ti Ti + pair_coeff * * Ti.meam.spline Ti -The first 2 arguments must be \* \* so as to span all LAMMPS atom types. -The three Ti arguments map LAMMPS atom types 1,2,3 to the Ti element -in the potential file. If a mapping value is specified as NULL, the -mapping is not performed. This can be used when a *meam/spline* -potential is used as part of the *hybrid* pair style. The NULL values -are placeholders for atom types that will be used with other -potentials. The old-style potential maps any non-NULL species named -on the command line to that single type. +The first 2 arguments must be \* \* and there may be only one element +following or NULL. Systems where there would be multiple atom types +assigned to the same element are **not** supported by this pair style +due to limitations in its implementation. If a mapping value is +specified as NULL, the mapping is not performed. This can be used when +a *meam/spline* potential is used as part of the *hybrid* pair style. +The NULL values are placeholders for atom types that will be used with +other potentials. An example with a two component spline (new style) is TiO.meam.spline, where the command @@ -143,6 +142,8 @@ Restrictions This pair style requires the :doc:`newton ` setting to be "on" for pair interactions. +This pair style does not support mapping multiple atom types to the same element. + This pair style is only enabled if LAMMPS was built with the USER-MISC package. See the :doc:`Build package ` doc page for more info.