# 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
# QM/MM
C11H24-qmmmgapwall-gauss-0.inp                         1      2e-13            -156.88271046728136
C11H24-qmmmgapw-gauss-0.inp                            7      7e-12            -28.042197352500001
H2O-qmmm-gapw-fdbg.inp                                 1      1e-13             -16.93909155475008
H2O-qmmm-hfx.inp                                       2      1e-11                 -17.6043379384
#EOF
