forked from lijiext/lammps
45 lines
1.8 KiB
Plaintext
45 lines
1.8 KiB
Plaintext
This directory contains potential files for different elements and
|
|
alloys, as used by LAMMPS for various pair styles. See the
|
|
description of the "pair_style" and "pair_coeff" commands for details
|
|
of the file formats and the various styles in LAMMPS that read these
|
|
files.
|
|
|
|
The prefix of each file indicates the element(s) it is parameterized
|
|
for. An additional lower-case identification tag may be appended.
|
|
|
|
Si = Silicon
|
|
SiC = Silicon and Carbon
|
|
Au_u3 = Gold universal 3
|
|
|
|
For many of the files, comments in the header section give origin and
|
|
citation information.
|
|
|
|
The suffix of each file indicates the pair style it is used with:
|
|
|
|
adp ADP angular dependent potential
|
|
airebo AI-REBO and REBO potentials
|
|
bop BOP potential, analytic form
|
|
bop.table BOP potential, tabulated form
|
|
cdeam concentration-dependent EAM
|
|
comb COMB potential
|
|
comb3 COMB3 potential
|
|
eam embedded atom method (EAM) single element, DYNAMO funcfl format
|
|
eam.alloy EAM multi-element alloy, DYNAMO setfl format
|
|
eam.fs Finnis-Sinclair EAM format (single element or alloy)
|
|
edip EDIP potential for silicon-based materials
|
|
eim embedded-ion method (EIM) potential
|
|
nb3d.harmonic non-bonded 3-body harmonic potential
|
|
lcbop LCBOP long-range bond-order potential
|
|
meam modified EAM (MEAM) library and individual elements/alloys
|
|
meam.spline modified EAM (MEAM) spline potential
|
|
meam.sw.spline modified EAM (MEAM) Stillinger-Weber spline potential
|
|
nb3b.harmonic nonbonded 3-body harmonic potential
|
|
reax ReaxFF potential (see README.reax for more info)
|
|
snap SNAP potential
|
|
snapcoeff SNAP potential
|
|
snapparam SNAP potential
|
|
sw Stillinger-Weber potential
|
|
tersoff Tersoff potential
|
|
tersoff.mod modified Tersoff potential
|
|
tersoff.zbl Tersoff with ZBL core
|