# runs are executed in the same order as in this file
# the second field tells which test should be run in order to compare with the last available output
# e.g. 0 means do not compare anything, running is enough
#      1 compares the last total energy in the file
#      for details see cp2k/tools/do_regtest
H2O-MNDO.inp                                           3    1.0E-14            -351.41062851273358
c2h4.inp                                               3    1.0E-14            -311.78373390456750
ch2o.inp                                               3    1.0E-14            -475.58698781898636
ch4.inp                                                3    1.0E-14            -180.05471494670974
ch4-restart.inp                                        3    1.0E-14            -180.05471494670982
h2o.inp                                                3    1.0E-14            -348.56201315272006
h2o_lsd.inp                                            3    1.0E-14            -348.56201315083575
h2op.inp                                               3    1.0E-14            -325.35457974557710
hcn.inp                                                3    1.0E-14            -346.49686119222844
hf.inp                                                 3    1.0E-14            -499.98506659307861
nh4.inp                                                3    1.0E-14            -256.98965446201572
st.inp                                                 3    1.0E-14           -2068.33296097919174
# test the initial adaptation to OT
ch4-ot.inp                                             3    1.0E-14            -180.05385433112914
h2o_lsd-ot.inp                                         3      2e-14            -348.56201309940252
# tests for high-spin ROKS
O-ROKS.inp                                             3    1.0E-14            -316.09951999999998
O2-ROKS.inp                                            3    1.0E-14            -641.56947944509795
NO2-ROKS.inp                                           3    1.0E-14            -746.41195758854042
hf_z.inp                                               3    1.0E-14            -499.28113628477763
h2o_meta.inp                                           2    1.0E-14            -0.127588615393E+02
# PDG
H2O-PDDG.inp                                           3    1.0E-14            -327.87747718063764
# PM6
b2h6_pm6.inp                                           3    1.0E-14            -191.26932146375466
ch2o_pm6.inp                                           3    1.0E-14            -440.23051289700749
hcn_pm6.inp                                            3      1e-09            -314.52868313880822
md.inp                                                11      1e-09            -233.39676101751502
# d-orbitals analytical der
O2-ROKS-PM6.inp                                        3    1.0E-14            -580.14588779285589
hcl.inp                                                3    1.0E-14            -279.22122951626676
hcl_ot.inp                                             3      1E-12            -279.22471953343342
hcl_z.inp                                              3    1.0E-14            -279.21403016786405
#EOF
