# 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_ot_refine_1.inp"                   = [{matcher="E_total", tol=1e-13, ref=-17.16169156523276}]
"h2o_ot_refine_2.inp"                   = [{matcher="E_total", tol=2e-13, ref=-17.14878741138959}]
"h2o_ot_refine_diis_1.inp"              = [{matcher="E_total", tol=7e-14, ref=-17.16034285286430}]
"h2o_ot_refine_diis_2.inp"              = [{matcher="E_total", tol=3e-14, ref=-17.13286784415029}]
"o2_ot_refine_1.inp"                    = [{matcher="E_total", tol=1e-13, ref=-31.64514796864939}]
"o2_ot_refine_2.inp"                    = [{matcher="E_total", tol=1e-13, ref=-31.47996280486952}]
"o2_ot_refine_diis_1.inp"               = [{matcher="E_total", tol=8e-14, ref=-31.68975974949591}]
"o2_ot_refine_diis_2.inp"               = [{matcher="E_total", tol=5e-14, ref=-31.26277230138910}]
"ethylene_l1_loc.inp"                   = [{matcher="M013", tol=1.0E-14, ref=0.4063601640E+02}]
"o2_ot_refine_roks.inp"                 = [{matcher="E_total", tol=1e-13, ref=-31.33473048057817}]
#EOF
