# 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-32-xtb-ls-1.inp                       11    1.0E-12             -46.140441340701784
H2O-32-xtb-ls-2.inp                       11    1.0E-12             -46.149897222623842
H2O-32-xtb-ls-3.inp                       11    1.0E-12             -92.314662149041851
H2O-32-xtb-ls-4.inp                       11    1.0E-12             -92.314660970750793
H2O-32-xtb-ls-5.inp                       11    1.0E-12             -92.314661815852020
H2O-32-xtb-ls-6.inp                       11    1.0E-12             -92.314660970750793
H2O-32-xtb-ls-7.inp                       11    1.0E-12             -92.314661795311508
H2O-32-xtb-ls-8.inp                       11    1.0E-12             -92.314661818553091
H2O-xtb-tc2-1.inp                         11    1.0E-12             -92.314661083181150
H2O-xtb-tc2-2.inp                         11    1.0E-12             -92.314661083180596
H2O-32-xtb-trs4.inp                       11    1.0E-12             -46.149897253047165
H2O-32-xtb-trs4-dyn.inp                   11    1.0E-12             -46.149897253047165
h2o_vib.inp                                8    8.0E-06                        1465.672
tmol.inp                                  11    1.0E-12             -41.908456607784821
#EOF
