# All pao methods should reproduce the reference energy
H2O_ref.inp                       11     9e-14    -17.202700812326320
H2O_pao_exp.inp                   11     1e-08    -17.202700812326320
H2O_pao_fock.inp                  11     1e-08    -17.202700812326320
H2O_pao_rotinv.inp                11     1e-06    -17.202700812326320
H2O_pao_eq_prim.inp               11     3e-09    -17.202700812326320
H2O_pao_gth.inp                   11     9e-05    -17.202700812326320
#
# molecular blocking and single precision
# 
H2O_pao_exp_cluster.inp           11     1e-08    -17.202700812326320
H2O_pao_exp_cluster_sp.inp        11     4e-07    -17.202700812326320
H2O_pao_exp_sp.inp                11     1e-07    -17.202700812326320
H2O_pao_exp_cluster_MD.inp         2     1e-07    -17.2025787384
#
# hybrids calculations where Oxygen uses full primary basis set
#
H2O_pao_exp_hybrid.inp            11     1e-08    -17.202700812326320
H2O_pao_fock_hybrid.inp           11     1e-08    -17.202700812326320
H2O_pao_rotinv_hybrid.inp         11     1e-06    -17.202700812326320
H2O_pao_gth_hybrid.inp            11     9e-05    -17.202700812326320
#
# rotated system, energy changes slightly due to grid and cell
#
H2O_ref2.inp                      11     9e-14    -17.202822380853704
H2O_pao_rotinv_restart.inp        11     1e-06    -17.202822380853704
#
# misc
#
H2O_pao_check_grad.inp             0
H2O_pao_mixing.inp                11     1e-07    -17.204698253588596
H2O_pao_minimal.inp               11     1e-07    -17.140031230468164
#EOF
