# 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
#QS
"h2o_1.inp"                             = [{matcher="E_total", tol=1e-12, ref=-16.83566845657052}]
"h2o_2.inp"                             = [{matcher="E_total", tol=1e-12, ref=-16.41572764902628}]
#EOF
