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clarify the difference between C++ and Fortran versions of MEAM

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Axel Kohlmeyer
2021-10-28 09:46:58 -04:00
parent b15c02e3cd
commit 64764cc7b0
1 changed files with 8 additions and 8 deletions
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doc/src/pair_meam.rst
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@ -28,16 +28,16 @@ Description
as of November 2010; see description below of the mixture_ref_t
parameter
Style *meam* computes pairwise interactions for a variety of materials
using modified embedded-atom method (MEAM) potentials
Pair style *meam* computes non-bonded interactions for a variety of materials
using the modified embedded-atom method (MEAM)
:ref:`(Baskes) <Baskes>`. Conceptually, it is an extension to the original
:doc:`EAM potentials <pair_eam>` which adds angular forces. It is
:doc:`EAM method <pair_eam>` which adds angular forces. It is
thus suitable for modeling metals and alloys with fcc, bcc, hcp and
diamond cubic structures, as well as covalently bonded materials like
silicon and carbon. Style *meam* is a translation of the (now obsolete)
*meam* code from Fortran to C++. It is functionally equivalent to *meam*
but more efficient, and thus *meam* has been removed from LAMMPS after
the 12 December 2018 release.
diamond cubic structures, as well as materials with covalent interactions
like silicon and carbon. This *meam* pair style is a translation of the
original Fortran version to C++. It is functionally equivalent but more
efficient and has additional features. The Fortran version of the *meam*
pair style has been removed from LAMMPS after the 12 December 2018 release.
In the MEAM formulation, the total energy E of a system of atoms is
given by: