This directory contains a variety of tests for the ML-SNAP package. These include:

in.snap.Ta06A                     # SNAP linear Ta potential
in.snap.W.2940                    # SNAP linear W potential
in.snap.hybrid.WSNAP.HePair       # Hybrid overlay pair style for linear SNAP W potential and twobody tables for He-He and W-He 
in.snap.WBe.PRB2019               # SNAP linear W/Be potential
in.snap.InP.JCPA2020              # SNAP linear InP potential using chem keyword (explicit multi-element)
in.snap.Mo_Chen                   # SNAP linear Mo potential
in.snap.compute                   # SNAP compute for training a linear model
in.snap.compute.quadratic         # SNAP compute for training a quadratic model
in.snap.scale.Ni_Zuo_JCPA2020     # SNAP linear Ni potential with thermodynamic integration (fix adapt scale)
in.C_SNAP                         # SNAP carbon potential

compute_snap_dgrad.py             # SNAP compute with dgradflag (dBi/dRj) for training a non-linear model

in.snap.grid                      # SNAP descriptors on a grid
in.snap.grid.triclinic            # SNAP descriptors on a grid, triclinic
in.gaussian.grid                  # Gaussian descriptors on a grid

