lammps/potentials
athomps 298f8732e9 Updated ReaxFF ZnO citation
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9329 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-25 19:39:08 +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
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 Set unused parameters to zero 2010-11-12 23:32:32 +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
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@8403 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-26 00:53:16 +00:00
README.reax Updated ReaxFF ZnO citation 2013-01-25 19:39:08 +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
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.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.Al_Al0_AlN git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7452 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 20:37:39 +00:00
ffield.reax.AuO Added some new ReaxFF examples 2011-02-19 03:53:12 +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 Removed extra elements 2011-01-28 17:38:58 +00:00
ffield.reax.cho Added some new ReaxFF examples 2011-02-19 03:53:12 +00:00
ffield.reax.lg git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7452 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 20:37:39 +00:00
ffield.reax.mattsson Added ReaxFF parameter files 2010-02-19 19:05:26 +00:00
ffield.reax.rdx Added some new ReaxFF examples 2011-02-19 03:53:12 +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:

airebo	      AI-REBO and REBO potentials
bop	      BOP potential, analytic form
bop.table     BOP potential, tabulated form
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
meam.spline   modified EAM (MEAM) spline potential
reax	      ReaxFF potential (see README.reax for more info)
sw	      Stillinger-Weber potential
tersoff	      Tersoff potential