# 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
"CH2O_tddfpt_stda-s-1.inp"              = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.349885E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.087968314E+00}]
"CH2Oplus_tddfpt_stda-lsd.inp"          = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.2121448E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.05544372}]
"CH2O_tddfpt_stda-pbe-s.inp"            = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.125452E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=5.56619410E-07}]
"CH2O_tddfpt_stda-pbe-s_doexchange.inp" = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.155105E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00000000E+00}]
"CH2O_tddfpt_stda-xtb-s.inp"            = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.150482E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00000000E+00}]
"CH2O_stda-xtb-s.inp"                   = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.779158E-01},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00000000E+00}]
"CH2O_stda-dip.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.779158E-01},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00000000E+00}]
"H2O_tddfpt_stda-pbe-s.inp"             = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.599658E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.29153549E+00}]
"H2Oplus_tddfpt_stda-pbe-lsd.inp"       = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.463329E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.49007769}]
"H2O_tddfpt_stda-pbe-t.inp"             = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.595565E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00000000E+00}]
"H2O_tddfpt_stda-pbe0-s.inp"            = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.637391E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.28237239E+00}]
"H2O_tddfpt_stda-pbe0-t.inp"            = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.633489E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00000000E+00}]
"H2O_tddfpt_stda-s-1.inp"               = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.173147E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.13595821E+02}]
"NO_tddfpt_stda-s-1.inp"                = [{matcher="TDDFPT_Check_Energy", tol=1.0E-05, ref=0.375613E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.043014553}]
"water_xTB.inp"                         = [{matcher="TDDFPT_Check_Energy", tol=2.0E-05, ref=0.125917E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.51465005E+00}]
"water_xTBi_NTO.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=2.0E-05, ref=0.125917E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.51465005E+00}]
#EOF

