# 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_f21.inp                                                1    5.0E-11             -17.18917899753596
h2o_f22.inp                                                1    5.0E-11             -17.20666199794008
h2o_f23.inp                                                1    1.0E-11             -16.71305460110763
h2o_f24.inp                                                1    1.0E-11             -17.20661694192800
#h2o_f25.inp                                                1    1.0E-12               0.000000E+00   Triplet GGA ?
h2o_f26.inp                                                1    5.0E-11             -16.75274791420235
h2o_f27.inp                                                1    1.0E-11             -16.75153365714026
h2o_f28.inp                                                1    5.0E-11             -16.73227374381129
h2o_f29.inp                                                1    1.0E-11             -17.20831564980310
h2o_f30.inp                                                1    1.0E-11             -17.20236904224571
h2o_f31.inp                                                1    5.0E-11             -17.21316685773503
h2o_f32.inp                                                1    1.0E-11             -17.20999702035802
h2o_f33.inp                                                1    5.0E-11             -16.75214782339778 
h2o_f34.inp                                                1    5.0E-11             -16.75064754390726 
h2o_f35.inp                                                1    5.0E-11             -16.75214782342228 
h2o_f36.inp                                                1    5.0E-11             -16.73307347996147 
#EOF
