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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2009-02-07 00:10:15 +08:00
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airebo AI-REBO (Brenner) 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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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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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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