# 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
#
"h2o_f01.inp"                           = [{matcher="E_total", tol=1.0E-11, ref=-16.97072210462662}]
"h2o_f02.inp"                           = [{matcher="E_total", tol=5.0E-11, ref=-17.00582465500199}]
"h2o_f03.inp"                           = [{matcher="E_total", tol=5.0E-11, ref=-17.00548875425553}]
"h2o_f04.inp"                           = [{matcher="E_total", tol=5.0E-11, ref=-17.10679698013192}]
"h2o_f05.inp"                           = [{matcher="E_total", tol=1.0E-11, ref=-17.09136193487421}]
"h2o_f06.inp"                           = [{matcher="E_total", tol=1.0E-11, ref=-16.55487974588554}]
"h2o_f07.inp"                           = [{matcher="E_total", tol=5.0E-11, ref=-17.00806155857331}]
"h2o_f08.inp"                           = [{matcher="E_total", tol=1.0E-11, ref=-17.12526295781511}]
"h2o_f09.inp"                           = [{matcher="E_total", tol=1.0E-11, ref=-17.21975280565217}]
"h2o_f10.inp"                           = [{matcher="E_total", tol=1.0E-11, ref=-17.02954820220558}]
"h2o_f10b.inp"                          = [{matcher="E_total", tol=1.0E-11, ref=-17.08503045954974}]
"h2o_tddfpt_newtonx.inp"                = [{matcher="E_total", tol=1.0E-11, ref=-17.22207883865284}]
"h2o_statefollow.inp"                   = [{matcher="E_total", tol=1.0E-11, ref=-17.23201551909958}]
#EOF
