# generate training-data / reference
H2_dist_0.7_pao.inp                                   11      2e-13             -1.162990066005869
H2_dist_0.9_pao.inp                                   11      2e-13             -1.153696829899648
H2_dist_1.2_pao.inp                                   11      2e-13             -1.105593015895884
#
# predict mid-point using machine learning
H2_dist_0.9_GP.inp                                    11       1e-4             -1.153696829898623
H2_dist_0.9_NN.inp                                    11       1e-4             -1.153696829898623
H2_dist_0.9_LAZY.inp                                  11       5e-4             -1.153696829898623
#
# check forces
H2_GP_pot_checkforces.inp                              0
H2_GP_overlap_checkforces.inp                          0
H2_GP_r12_checkforces.inp                              0
H2_LAZY_checkforces.inp                                0
H2_NN_r12_checkforces.inp                              0
#
#EOF
