lammps/potentials
sjplimp bbc2b231ba git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10943 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-04 17:23:17 +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.adp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6441 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-20 15:08:04 +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
AlSiMgCuFe.meam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8429 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-29 15:51:16 +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
BNC.tersoff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9697 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-21 14:41:56 +00:00
C.lcbop git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8123 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-22 15:00:18 +00:00
CH.airebo git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7198 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-25 16:24:23 +00:00
CdTe.bop git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8403 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-26 00:53:16 +00:00
CdTe.bop.table git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8403 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-26 00:53:16 +00:00
CdTe.sw git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10419 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-26 16:04:51 +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
GaAs.bop git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8403 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-26 00:53:16 +00:00
GaAs.bop.table git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8403 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-26 00:53:16 +00:00
GaN.sw Set unused parameters to zero 2010-11-12 23:32:32 +00:00
GaN.tersoff Set unused paramters to zero 2010-01-29 18:02:42 +00:00
MOH.nb3b.harmonic git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10183 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-28 21:28:15 +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.adp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6441 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-20 15:08:04 +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
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@10943 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-04 17:23:17 +00:00
README.reax Added Strachan citation to rdx, removed Al_Al0_AlN 2013-05-17 15:18:19 +00:00
Si.b.meam.sw.spline git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9026 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-26 23:28:57 +00:00
Si.edip git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6977 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-15 15:35:41 +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
Si.tersoff.mod git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10424 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-26 16:36:53 +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 Added erratum for Tersoff_2 2011-04-26 17:49:54 +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_1989.tersoff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6063 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-03 17:35:22 +00:00
SiC_1990.tersoff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6063 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-03 17:35:22 +00:00
SiC_1994.tersoff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6063 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-03 17:35:22 +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
Si_1.meam.spline git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7655 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-01 22:45:50 +00:00
Si_2.meam.spline git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7655 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-01 22:45:50 +00:00
Ti.meam.spline git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7655 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-01 22:45:50 +00:00
Ti.meam.sw.spline git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9026 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-26 23:28:57 +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.comb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5697 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 20:20:14 +00:00
ffield.comb3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10943 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-04 17:23:17 +00:00
ffield.eim git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4636 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-01 00:31:26 +00:00
ffield.reax.AB Added some new ReaxFF examples 2011-02-19 03:53:12 +00:00
ffield.reax.AuO Added some new ReaxFF examples 2011-02-19 03:53:12 +00:00
ffield.reax.FC git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10418 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-26 16:04:33 +00:00
ffield.reax.Fe_O_C_H Added some new ReaxFF examples 2011-02-19 03:53:12 +00:00
ffield.reax.V_O_C_H Added some new ReaxFF examples 2011-02-19 03:53:12 +00:00
ffield.reax.ZnOH Updated ReaxFF ZnO citation 2013-01-25 19:39:08 +00:00
ffield.reax.budzien Added citations to headers 2013-05-14 15:11:58 +00:00
ffield.reax.cho Added some new ReaxFF examples 2011-02-19 03:53:12 +00:00
ffield.reax.lg Added ReaxFF.lg citation 2013-05-17 15:06:33 +00:00
ffield.reax.mattsson Added citations to headers 2013-05-14 15:11:58 +00:00
ffield.reax.rdx Added some new ReaxFF examples 2011-02-19 03:53:12 +00:00
lib.comb3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10943 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-04 17:23:17 +00:00
library.meam git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8428 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-29 15:51:11 +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:

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)
sw	      Stillinger-Weber potential
tersoff	      Tersoff potential
tersoff.mod   modified Tersoff potential
tersoff.zbl   Tersoff with ZBL core