lammps/potentials/README

26 lines
1013 B
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:
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)
meam modified EAM (MEAM) library and individual elements/alloys
sw Stillinger-Weber potential
tersoff Tersoff potential
airebo AI-REBO (Brenner) potential