# 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
#
h2_gapw_2-2.inp                                        1      1e-12              -1.12703481947359
h2_gapw_2-2.inp                                       92      1e-8                4.08762365
h2_gapw_2-3.inp                                        1      1e-12              -1.12703481947359
h2_gapw_2-3.inp                                       92      1e-8                6.34129968
h2_gapw_2-4.inp                                        1      1e-12              -1.12703481947359
h2_gapw_2-4.inp                                       92      1e-8               10.57997133
h2_gapw_pp_2-2.inp                                     1      1e-12              -1.12609343153655
h2_gapw_pp_2-2.inp                                    92      1e-8                4.08439200
h2_gapw_pp_2-3.inp                                     1      1e-12              -1.12609343153655
h2_gapw_pp_2-3.inp                                    92      1e-8                6.33490411
h2_gapw_pp_2-4.inp                                     1      1e-12              -1.12609343153655
h2_gapw_pp_2-4.inp                                    92      1e-8               10.58497448
h2_gpw_pp_2-2.inp                                      1      1e-12              -1.12622646044780
h2_gpw_pp_2-2.inp                                     92      1e-8                4.08480362
h2_gpw_pp_2-3.inp                                      1      1e-12              -1.12622646044780
h2_gpw_pp_2-3.inp                                     92      1e-8                6.33542725
h2_gpw_pp_2-4.inp                                      1      1e-12              -1.12622646044780
h2_gpw_pp_2-4.inp                                     92      1e-8               10.58532335
h2o_gapw_2-2.inp                                       1      1e-12             -76.011970410506123
h2o_gapw_2-2.inp                                      92      1e-8               77.48403361
ch2_gapw_2-3.inp                                       1      1e-12             -38.91914381184247
ch2_gapw_2-3.inp                                      92      1e-8               50.38752107
ch2_gapw_pp_2-3.inp                                    1      1e-12              -6.51646227467145
ch2_gapw_pp_2-3.inp                                   92      1e-8               17.95445655
ch2_gpw_pp_2-3.inp                                     1      1e-12              -6.51682932586237
ch2_gpw_pp_2-3.inp                                    92      1e-8               17.95513412
#EOF
