forked from lijiext/lammps
16 lines
465 B
Plaintext
16 lines
465 B
Plaintext
# DATE: 2020-06-21 UNITS: metal CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: none
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# Definition of SNAP+ZBL potential.
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variable zblcutinner equal 4
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variable zblcutouter equal 4.8
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variable zblz equal 74
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# Specify hybrid with SNAP and ZBL
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pair_style hybrid/overlay &
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zbl ${zblcutinner} ${zblcutouter} &
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mliap model quadratic W.quadratic.mliap.model descriptor sna W.quadratic.mliap.descriptor
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pair_coeff 1 1 zbl ${zblz} ${zblz}
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pair_coeff * * mliap W
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