# 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_GAPW_1.inp"                        = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.548880E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.17671315E+00}]
"H2O_GAPW_2.inp"                        = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.590943E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.17438847E+00}]
"H2O_GAPW_3.inp"                        = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.609312E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.16034092E+00}]
"H2O_GAPW_4.inp"                        = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.619451E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.24722661E+00}]
"H2O_GAPW_5.inp"                        = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.548873E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.17671858E+00}]
"H2O_GAPW_6.inp"                        = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.609352E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.16030603E+00}]
"H2O_GAPW_XC_1.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.619451E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.24727889E+00}]
"H2O_GAPW_XC_2.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.812642E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.19325340E+00}]
"H2O_GAPW_XC_3.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.845166E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.16080021E+00}]
"H2O_GAPW_XC_4.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.845146E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.16087690E+00}]
"H2O_GAPW_1_triplet.inp"                = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.509622E+00},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.0000000E+00}]
"Ne_GAPW_triplet.inp"                   = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.166970E+01},
                                           {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.0000000E+00}]
#EOF


