# 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
#normal mode analysis
H2-vib.inp                                             8      9e-06             3855.5249239999998
H2-vib_tc.inp                                         62      2e-05                    -5.75148845
N2_raman.inp                                           8      1e-05             2662.743559       
# test thermostats
H2O-2.inp                                              1      3e-14             -17.14619644944913
H2O-3.inp                                              1      4e-14             -17.14553123442895
H2O-4.inp                                              1      3e-14             -17.14677584577026
# core ham bug
ZrO.inp                                                1      5e-14             -62.20561057734427
# new xc routines
Ar-12.inp                                              1      3e-13            -21.042519995759061
Ar-13.inp                                              1      8e-13             -21.12624107439710
# Metadynamics and restart of metadynamics
#EOF
