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update docs for meam and meam/c pair style

This commit is contained in:
Axel Kohlmeyer 2018-12-10 12:21:15 -05:00
parent 3f49eb8515
commit 93efe3e40e
1 changed files with 9 additions and 13 deletions
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22
doc/src/pair_meam.txt
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@ -6,18 +6,17 @@
:line
pair_style meam command :h3
pair_style meam/c command :h3
[Syntax:]
pair_style style :pre
style = {meam} or {meam/c}
style = {meam/c}
[Examples:]
pair_style meam
pair_style meam/c
pair_coeff * * ../potentials/library.meam Si ../potentials/si.meam Si
pair_coeff * * ../potentials/library.meam Ni Al NULL Ni Al Ni Ni :pre
@ -27,14 +26,16 @@ NOTE: The behavior of the MEAM potential for alloy systems has changed
as of November 2010; see description below of the mixture_ref_t
parameter
Style {meam} computes pairwise interactions for a variety of materials
Style {meam/c} computes pairwise interactions for a variety of materials
using modified embedded-atom method (MEAM) potentials
"(Baskes)"_#Baskes. Conceptually, it is an extension to the original
"EAM potentials"_pair_eam.html 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/c} is a translation of the {meam} code
from (mostly) Fortran to C++. It is functionally equivalent to {meam}.
silicon and carbon. Style {meam/c} 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.
In the MEAM formulation, the total energy E of a system of atoms is
given by:
@ -352,13 +353,8 @@ This pair style can only be used via the {pair} keyword of the
[Restrictions:]
The {meam} style is part of the MEAM package. It is only enabled if
LAMMPS was built with that package, which also requires the MEAM
library be built and linked with LAMMPS. The {meam/c} style is
provided in the USER-MEAMC package. It is only enabled if LAMMPS was
built with that package. In contrast to the {meam} style, {meam/c}
does not require a separate library to be compiled and it can be
instantiated multiple times in a "hybrid"_pair_hybrid.html pair style.
The {meam/c} style is provided in the USER-MEAMC package. It is
only enabled if LAMMPS was built with that package.
See the "Build package"_Build_package.html doc page for more info.
[Related commands:]