# 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
#      123 compares the checksum for exciton descriptors
#      for details see cp2k/tools/do_regtest
#
"h2o_f01.inp"                           = [{matcher="E_total", tol=1.0E-11, ref=-17.14073254422469}]
"h2o_f02.inp"                           = [{matcher="E_total", tol=1.0E-11, ref=-17.14073254422469}]
"h2o_exciton_descriptors.inp"           = [{matcher="M123", tol=1.0E-04, ref=1.8936}]
#EOF
