From 64764cc7b00a6b8a0a3df6a1034665b056885ae7 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 28 Oct 2021 09:46:58 -0400 Subject: [PATCH] clarify the difference between C++ and Fortran versions of MEAM --- doc/src/pair_meam.rst | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/doc/src/pair_meam.rst b/doc/src/pair_meam.rst index d091496325..022de60f98 100644 --- a/doc/src/pair_meam.rst +++ b/doc/src/pair_meam.rst @@ -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) `. Conceptually, it is an extension to the original -:doc:`EAM potentials ` which adds angular forces. It is +:doc:`EAM method ` 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: