# 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_tddfpt-s-1.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.600232E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.29582687E+00}]
"H2O_tddfpt-t-1.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.289055E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00000000E+00}]
"H2Oplus_tddfpt.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.505543E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.066365983}]
"NO_tddfpt-s-1.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.319837E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00056540661}]
"NO_tddfpt-t-1.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=2.0E-04, ref=0.324319E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00061671143}]
"H2O_tddfpt-s-2.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.543390E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.80526481E+00}]
"H2O_tddfpt-t-2.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.548605E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00000000E+00}]
"NO_tddfpt-t-2.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.340342E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00082370684}]
"H2O_tddfpt-s-3.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.543390E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.80526481E+00}]
"H2O_tddfpt-t-3.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.579030E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00000000E+00}]
"NO_tddfpt-s-3.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.326331E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.0010064162}]
"NO_tddfpt-t-3.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.340342E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00082370684}]
"H2O_tddfpt_NTO.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.542432E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.01674626}]
"H2O_tddfpt_NTO_slist.inp"              = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.542432E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.01674626}]
"H2O_tddfpt_NTO_restart.inp"            = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.542432E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.01674626}]
"H2_kp_tddfpt_none_mp.inp"              = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.658268E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=4.0E-06, ref=0.36697616E+00}]
"H2_kp_tddfpt_none_general.inp"         = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.658268E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=4.0E-06, ref=0.36697616E+00}]
"H2_kp_tddfpt_none_sym.inp"             = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.465466E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=4.0E-06, ref=0.51898266E+00}]
"H2_kp_tddfpt_none_scf_moment.inp"      = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.658268E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=4.0E-06, ref=0.42166952E+00}]
#
#EOF
