Commit c5756425 authored by Aidan Thompson's avatar Aidan Thompson
Browse files

Added descriptor file for compute mliap

parent aee3d9f2

examples/mliap/compute.mliap.descriptor

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# LAMMPS SNAP parameters for MLIAP compute example



# required

rcutfac 1.0

twojmax 2



# elements



nelems 2

elems A B 

radelems 2.3 2.0

welems 1.0 0.96



# optional



rfac0 0.99363

rmin0 0

bzeroflag 0

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