# All pao methods should reproduce the reference energy
H2_ref.inp                       11     9e-14             -1.160920966911983
H2_pao_exp.inp                   11     1e-07             -1.160920966911983
H2_pao_fock.inp                  11     1e-07             -1.160920966911983
H2_pao_rotinv.inp                11     1e-07             -1.160920966911983
H2_pao_gth.inp                   11     1e-07             -1.160920966911983
#
H2_pao_MD.inp                     2     1e-07             -0.116085621247E+01
#
H2_pao_exp_checkgrad.inp          0
H2_pao_fock_checkgrad.inp         0
H2_pao_rotinv_checkgrad.inp       0
H2_pao_gth_checkgrad.inp          0
#
H2_pao_fock_checkforces.inp       0
H2_pao_rotinv_checkforces.inp     0
#
# using single frame of H2 for predicting H2O with pao disabled on Oxygen
# ...obviously the resulting energy is way off.
H2O_hybrid_ML.inp                11     1e-10             -17.187378917410030
#EOF
