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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13530 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2015-07-06 16:35:48 +00:00
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7 changed files with 9 additions and 1 deletions
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examples/neb/Si.sw
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# DATE: 2007-06-11 CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: Stillinger and Weber, Phys Rev B, 31, 5262, (1985)
# Stillinger-Weber parameters for various elements and mixtures # Stillinger-Weber parameters for various elements and mixtures
# multiple entries can be added to this file, LAMMPS reads the ones it needs # multiple entries can be added to this file, LAMMPS reads the ones it needs
# these entries are in LAMMPS "metal" units: # these entries are in LAMMPS "metal" units:

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examples/prd/Si.sw
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# DATE: 2007-06-11 CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: Stillinger and Weber, Phys Rev B, 31, 5262, (1985)
# Stillinger-Weber parameters for various elements and mixtures # Stillinger-Weber parameters for various elements and mixtures
# multiple entries can be added to this file, LAMMPS reads the ones it needs # multiple entries can be added to this file, LAMMPS reads the ones it needs
# these entries are in LAMMPS "metal" units: # these entries are in LAMMPS "metal" units:

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examples/shear/Ni_u3.eam
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Ni function (universal 3) DATE: 2007-06-11 CONTRIBUTOR: Stephen Foiles, foiles@sandia.gov CITATION: Foiles et al, Phys Rev B, 33, 7983 (1986) COMMENT: Ni function (universal 3), SM Foiles et al, PRB, 33, 7983 (1986)
28 58.710 3.5200 FCC 28 58.710 3.5200 FCC
500 5.0100200400801306e-04 500 9.6969696969697039e-03 4.8000000000000114e+00 500 5.0100200400801306e-04 500 9.6969696969697039e-03 4.8000000000000114e+00
0. -5.0517016048996766e-01 -7.9317853848267106e-01 -1.0217438587039425e+00 -1.2174805690269395e+00 0. -5.0517016048996766e-01 -7.9317853848267106e-01 -1.0217438587039425e+00 -1.2174805690269395e+00

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examples/snap/Ta06A.snapcoeff
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# DATE: 2014-09-05 CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: Thompson, Swiler, Trott, Foiles and Tucker, arxiv.org, 1409.3880 (2014)
# LAMMPS SNAP coefficients for Ta_Cand06A # LAMMPS SNAP coefficients for Ta_Cand06A

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examples/snap/Ta06A.snapparam
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# DATE: 2014-09-05 CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: Thompson, Swiler, Trott, Foiles and Tucker, arxiv.org, 1409.3880 (2014)
# LAMMPS SNAP parameters for Ta_Cand06A # LAMMPS SNAP parameters for Ta_Cand06A
# required # required

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examples/snap/Ta06A_pot.snap
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# DATE: 2014-09-05 CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: Thompson, Swiler, Trott, Foiles and Tucker, arxiv.org, 1409.3880 (2014)
# Definition of SNAP potential Ta_Cand06A # Definition of SNAP potential Ta_Cand06A
# Assumes 1 LAMMPS atom type # Assumes 1 LAMMPS atom type

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examples/tad/Si.sw
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# DATE: 2007-06-11 CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: Stillinger and Weber, Phys Rev B, 31, 5262, (1985)
# Stillinger-Weber parameters for various elements and mixtures # Stillinger-Weber parameters for various elements and mixtures
# multiple entries can be added to this file, LAMMPS reads the ones it needs # multiple entries can be added to this file, LAMMPS reads the ones it needs
# these entries are in LAMMPS "metal" units: # these entries are in LAMMPS "metal" units: