# 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_2-2.inp                                           1      1e-12              -1.15195791735218
#h2_2-2.inp                                          92      1e-8                3.69431122
h2_2-2.inp                                          92      1e-8                3.69373843
#h2_manual_1+2.inp                                    1      1e-12              -1.15195791735218
#h2_manual_1+2.inp                                   92      1e-8                3.69431122
h2_manual_1+2.inp                                   92      1e-8                3.69373843
#h2_manual_1+3.inp                                    1      1e-12              -1.15195791735218
#h2_manual_1+3.inp                                   92      1e-8                3.69984673
h2_manual_1+3.inp                                   92      1e-8                3.69884091
#h2_manual_1+4.inp                                    1      1e-12              -1.15195791735218
#h2_manual_1+4.inp                                   92      1e-8                3.86919130
h2_manual_1+4.inp                                   92      1e-8                3.86984321
#h2_iterative_density.inp                             1      1e-12              -1.15195791735218
#h2_iterative_density.inp                            92      1e-8                3.69468254
#h2_manual_1+2_1+3.inp                                1      1e-12              -1.15195791735218
#h2_manual_1+2_1+3.inp                               92      1e-8                8.68780361
h2_manual_1+2_1+3.inp                               92      1e-8                8.68621321
#h2_manual_1+3_1+2.inp                                1      1e-12              -1.15195791735218
#h2_manual_1+3_1+2.inp                               92      1e-8                8.68780361
h2_manual_1+3_1+2.inp                               92      1e-8                8.68621321
#h2_manual_UKS_1+2.inp                                1      1e-12              -1.15195791735218
#h2_manual_UKS_1+2.inp                               92      1e-8                8.52511231
h2_manual_UKS_1+2.inp                               92      1e-8                8.52386602
#EOF
