# 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
c2h4.inp        3
ch2o.inp        3
ch4.inp         3
ch4-restart.inp 3
h2o.inp         3
h2o_lsd.inp     3  
h2op.inp        3
hcn.inp         3
hf.inp          3
nh4.inp         3
st.inp          3
# test the initial adaptation to OT
ch4-ot.inp      3
h2o_lsd-ot.inp  3
# tests for high-spin ROKS
O-ROKS.inp      3
O2-ROKS.inp     3
NO2-ROKS.inp    3
hf_z.inp        3
h2o_meta.inp    2
# PDG
H2O-PDDG.inp    3
# PM6
b2h6_pm6.inp    3
ch2o_pm6.inp    3
hcn_pm6.inp     3
md.inp         11
# d-orbitals analytical der
O2-ROKS-PM6.inp        3
Pt-cis-2xpet3Cl2.inp   3
hcl.inp                3
hcl_ot.inp             3
hcl_z.inp              3
ZrF2-PM6.inp           3
Hg_cat.inp             3
Hg_dicat.inp          29
Hg_dicat2.inp         29
Hg_dicat3.inp         29
Fe2.inp                3
FeC.inp                3
FeH_1cat.inp           3
FeH_7cat.inp           3
FeH_8cat.inp           3
FeH_9cat.inp          29
Pt-cis-2xpet3Cl2-si.inp     3
Pt-cis-2xpet3Cl2-si-noc.inp 3
#covering all special core-core PM6 interactions
CH3Cl2.inp             3
c2h5cl.inp             3
sio2.inp               3
#S=1 preconditioners
stp1.inp               3
stp2.inp               3
stp3.inp               3
stp4.inp               3
stp5.inp               3
stp6.inp               3
#Reftraj standard XYZ
scan_zn_1w_cp2k.inp    3
zn_1w_debug.inp        3
#Jacobi diagonalization
H2O-32.inp             3
# Test for new option relax_multiplicity
O2-UKS-MNDO-relax_multip.inp 3
