!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!                                              !!!!!
!!!!!  VERIFICATION CHECK: vc-dimer-continuity-c1  !!!!!
!!!!!                                              !!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

Description: Determines whether a model has a continuous energy and first
             derivative, i.e. belongs to the C^1 continuity class, for all
             possible dimers. For a model supporting N species, there are N +
             N!/(2(N-2)! distinct dimers for all possible species combinations.
             (For example if N=3, there are 3+3!/2=6 dimers.  If the species are
             A,B,C, the 6 dimers are AA, BB, CC, AB, AC, BC.) For each dimer,
             the equilibrium separation and cutoff are determined. The
             continuity across the cutoff is assessed.  Then an analysis is
             performed to detect any discontinuities from half the equilibrium
             distance to the cutoff. Although the verification check only
             requires C^1 continuity to pass, continuity up to 3rd order is
             checked and reported.

Author: Ellad Tadmor

-----------------------------------------------------------------------------------------------------
Results for KIM Model      : LJ_Shifted_Bernardes_1958HighCutoff_Kr__MO_923895531627_004
Supported species          : Kr

-----------------------------------------------------------------------------------------------------
DIMER Kr--Kr
-----------------------------------------------------------------------------------------------------

E n e r g y  E x t r e m a
                                   distance            energy       #iter   #fn-calls    warnings
Equilibrium separation:      4.09698647e+00   -1.39985821e-02          34          68    none
** Unable to obtain upper bracket for cutoff radius **

WARNING: NOT CHECKING CONTINUITY FOR Kr-Kr DIMER.


ERROR: Failed to find any pairs in the species set supported by the model that have a non-zero energy interaction. This likely means that the model only computes forces and does not compute energy; this Verification Check currently requires that models report energy.


ERROR: Unable to perform verification check.

 Message = ERROR: Failed to find any pairs in the species set supported by the model that have a non-zero energy interaction. This likely means that the model only computes forces and does not compute energy; this Verification Check currently requires that models report energy.