Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples

# DATE: 2020-06-01 UNITS: metal CONTRIBUTOR: Mary Alice Cusentino mcusent@sandia.gov CITATION: M.A. Cusentino, M. A. Wood, and A.P. Thompson, "Explicit Multi-element Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems", J. Phys. Chem. A, xxxxxx (2020)

# Definition of SNAP+ZBL potential.

variable zblcutinner index 4

variable zblcutouter index 4.2

variable zblz1 index 49

variable zblz2 index 15

# Specify hybrid with SNAP and ZBL

pair_style hybrid/overlay &

zbl ${zblcutinner} ${zblcutouter} &

mliap model linear InP_JCPA2020.mliap.model descriptor sna InP_JCPA2020.mliap.descriptor

pair_coeff 1 1 zbl ${zblz1} ${zblz1}

pair_coeff 1 2 zbl ${zblz1} ${zblz2}

pair_coeff 2 2 zbl ${zblz2} ${zblz2}

pair_coeff * * mliap   In P

# DATE: 2020-06-01 UNITS: metal CONTRIBUTOR: Mary Alice Cusentino mcusent@sandia.gov CITATION: M.A. Cusentino, M. A. Wood, and A.P. Thompson, "Explicit Multi-element Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems", J. Phys. Chem. A, xxxxxx (2020)

# required

rcutfac 1.0

twojmax 6

# elements

nelems 2

elems In P 

radelems 3.81205 3.82945 

welems 1 0.929316

#  optional

rfac0 0.99363

rmin0 0.0

bzeroflag 1

wselfallflag 1

chemflag 1

bnormflag 1

# DATE: 2020-04-04 CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: Thompson, Swiler, Trott, Foiles and Tucker, arxiv.org, 1409.3880 (2014) 

# DATE: 2014-09-05 UNITS: metal CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: Thompson, Swiler, Trott, Foiles and Tucker, arxiv.org, 1409.3880 (2014) 

# Definition of SNAP potential Ta_Cand06A

# Assumes 1 LAMMPS atom type

# DATE: 2014-09-05 CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: Thompson, Swiler, Trott, Foiles and Tucker, arxiv.org, 1409.3880 (2014) 

# DATE: 2014-09-05 UNITS: metal CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: Thompson, Swiler, Trott, Foiles and Tucker, arxiv.org, 1409.3880 (2014) 

# LAMMPS SNAP parameters for Ta_Cand06A