# 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_f01.inp                                                1    1.0E-11             -16.97072210462662
h2o_f02.inp                                                1    5.0E-11             -17.00582465500199
h2o_f03.inp                                                1    5.0E-11             -17.00548875425553
h2o_f04.inp                                                1    5.0E-11             -17.10679698013192
h2o_f05.inp                                                1    1.0E-11             -17.09136193487421
h2o_f06.inp                                                1    1.0E-11             -16.55487974588554
h2o_f07.inp                                                1    2.0E-11             -17.00806155857331
h2o_f08.inp                                                1    1.0E-11             -17.12526295781511
h2o_f09.inp                                                1    1.0E-11             -17.21975280565217
h2o_f10.inp                                                1    1.0E-11             -17.02954820220558
h2o_f10b.inp                                               1    1.0E-11             -17.08503047402411
h2o_tddfpt_newtonx.inp                                     1    1.0E-11             -17.22207883865284
h2o_statefollow.inp                                        1    1.0E-11             -17.23201551909958 
#EOF
