2007-06-12 00:54:20 +08:00
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This directory contains potential files for different elements and
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alloys, as used by LAMMPS for various pair styles. See the
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description of the "pair_style" and "pair_coeff" commands for details
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of the file formats and the various styles in LAMMPS that read these
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files.
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The prefix of each file indicates the element(s) it is parameterized
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for. An additional lower-case identification tag may be appended.
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Si = Silicon
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SiC = Silicon and Carbon
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Au_u3 = Gold universal 3
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For many of the files, comments in the header section give origin and
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citation information.
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The suffix of each file indicates the pair style it is used with:
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2013-11-05 01:23:17 +08:00
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adp ADP angular dependent potential
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2012-06-26 08:53:16 +08:00
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airebo AI-REBO and REBO potentials
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bop BOP potential, analytic form
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bop.table BOP potential, tabulated form
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2013-11-05 01:23:17 +08:00
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cdeam concentration-dependent EAM
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comb COMB potential
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comb3 COMB3 potential
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2007-06-12 00:54:20 +08:00
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eam embedded atom method (EAM) single element, DYNAMO funcfl format
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eam.alloy EAM multi-element alloy, DYNAMO setfl format
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2007-06-20 21:40:55 +08:00
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eam.fs Finnis-Sinclair EAM format (single element or alloy)
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2013-11-05 01:23:17 +08:00
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edip EDIP potential for silicon-based materials
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eim embedded-ion method (EIM) potential
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nb3d.harmonic non-bonded 3-body harmonic potential
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lcbop LCBOP long-range bond-order potential
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2007-06-12 00:54:20 +08:00
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meam modified EAM (MEAM) library and individual elements/alloys
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2012-02-02 06:45:50 +08:00
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meam.spline modified EAM (MEAM) spline potential
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2013-11-05 01:23:17 +08:00
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meam.sw.spline modified EAM (MEAM) Stillinger-Weber spline potential
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2013-06-29 05:28:15 +08:00
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nb3b.harmonic nonbonded 3-body harmonic potential
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2010-02-20 03:09:45 +08:00
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reax ReaxFF potential (see README.reax for more info)
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2007-06-12 00:54:20 +08:00
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sw Stillinger-Weber potential
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tersoff Tersoff potential
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2013-11-05 01:23:17 +08:00
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tersoff.mod modified Tersoff potential
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tersoff.zbl Tersoff with ZBL core
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