# 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             -46.141216327501148
H2O-32-xtb-ls-2.inp                       11    1.0E-12             -46.150675466617464
H2O-32-xtb-ls-3.inp                       11    1.0E-12             -92.315985244652225
H2O-32-xtb-ls-4.inp                       11    1.0E-12             -92.315984055047494
H2O-32-xtb-ls-5.inp                       11    1.0E-12             -92.315984900840121
H2O-32-xtb-ls-6.inp                       11    1.0E-12             -92.315984055047494
H2O-32-xtb-ls-7.inp                       11    1.0E-12             -92.315984880279260
H2O-32-xtb-ls-8.inp                       11    1.0E-12             -92.315984903564313
H2O-xtb-tc2-1.inp                         11    1.0E-12             -92.315984177511098
H2O-xtb-tc2-2.inp                         11    1.0E-12             -92.315984177511282
H2O-32-xtb-trs4.inp                       11    1.0E-12             -46.150675498649122
H2O-32-xtb-trs4-dyn.inp                   11    1.0E-12             -46.150675498649122
h2o_vib.inp                                8    8.0E-06                        1465.672
tmol.inp                                  11    1.0E-12             -41.908538858132431
#EOF
