lammps/potentials
sjplimp 9396fad701 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4488 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-08-16 18:51:36 +00:00
..
Ag_u3.eam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2450 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-01-12 22:22:37 +00:00
AlCu.eam.alloy git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2136 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-10-01 16:28:02 +00:00
AlFe_mm.eam.fs git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
Al_jnp.eam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
Al_mm.eam.fs git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
Al_zhou.eam.alloy git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1029 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-10-12 16:24:01 +00:00
Au_u3.eam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2450 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-01-12 22:22:37 +00:00
CH.airebo git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
CdTe.sw Added latest mixing rule 2009-12-15 20:06:01 +00:00
CoAl.eam.alloy git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
Cu.meam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
CuZr_mm.eam.fs git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
Cu_mishin1.eam.alloy git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1029 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-10-12 16:24:01 +00:00
Cu_smf7.eam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1465 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-02-06 15:07:44 +00:00
Cu_u3.eam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2450 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-01-12 22:22:37 +00:00
Cu_u6.eam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2631 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-03-05 22:02:40 +00:00
Cu_zhou.eam.alloy git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1029 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-10-12 16:24:01 +00:00
FeCr.cdeam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3311 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-11-05 19:59:42 +00:00
FeP_mm.eam.fs git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@615 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-15 14:27:53 +00:00
Fe_mm.eam.fs git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
GaN.sw git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1559 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-03-01 00:06:37 +00:00
GaN.tersoff Set unused paramters to zero 2010-01-29 18:02:42 +00:00
Mg_mm.eam.fs git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
Ni.meam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
NiAlH_jea.eam.alloy git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1186 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-11-30 14:54:17 +00:00
NiAlH_jea.eam.fs git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1186 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-11-30 14:54:17 +00:00
NiAl_mishin.eam.alloy git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4039 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-04-23 19:01:26 +00:00
Ni_smf7.eam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1374 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-01-17 17:04:27 +00:00
Ni_u3.eam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2450 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-01-12 22:22:37 +00:00
Pd_u3.eam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2450 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-01-12 22:22:37 +00:00
Pt_u3.eam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2450 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-01-12 22:22:37 +00:00
README git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3816 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-02-19 19:09:45 +00:00
README.reax Added ReaxFF parameter files 2010-02-19 19:05:26 +00:00
Si.sw git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1559 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-03-01 00:06:37 +00:00
Si.tersoff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1098 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-10-25 16:27:54 +00:00
SiC.meam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
SiC.tersoff Set unused paramters to zero 2010-01-29 18:02:42 +00:00
SiC.tersoff.zbl Set unused paramters to zero 2010-01-29 18:02:42 +00:00
SiCGe.tersoff Set unused paramters to zero 2010-01-29 18:02:42 +00:00
SiC_Erhart-Albe.tersoff Added Erhart/Albe SiC tersoff potential from Felix Ulomek 2009-05-05 17:18:23 +00:00
SiO.tersoff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4488 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-08-16 18:51:36 +00:00
VFe_mm.eam.fs git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
W_zhou.eam.alloy git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1029 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-10-12 16:24:01 +00:00
Zr_mm.eam.fs git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00
ffield.reax Added ReaxFF parameter files 2010-02-19 19:05:26 +00:00
ffield.reax.budzien Added ReaxFF parameter files 2010-02-19 19:05:26 +00:00
ffield.reax.cho Added ReaxFF parameter files 2010-02-19 19:05:26 +00:00
ffield.reax.mattsson Added ReaxFF parameter files 2010-02-19 19:05:26 +00:00
ffield.reax.rdx Added ReaxFF parameter files 2010-02-19 19:05:26 +00:00
library.meam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@612 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-11 16:54:20 +00:00

README

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:

airebo	      AI-REBO (Brenner) 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)
meam	      modified EAM (MEAM) library and individual elements/alloys
reax	      ReaxFF potential (see README.reax for more info)
sw	      Stillinger-Weber potential
tersoff	      Tersoff potential