# 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_df0.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.59300779E+00},
                                    {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.3026024E+00}]
"H2O_df1.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.59300779E+00},
                                    {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.3026024E+00}]
"H2O_df2.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.59300779E+00},
                                    {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.43764688E+02}]
"H2O_df3.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.59300779E+00},
                                    {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.20716472E+01}]
"H2O_df4.inp"                    = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.59300779E+00},
                                    {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.34970609E+00}]

"NO_df0.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.31464224E+00},
                                    {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00043376801}]
"NO_df1.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.31464224E+00},
                                    {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00043376801}]
"NO_df2.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.31464224E+00},
                                    {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.18406189}]
"NO_df3.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.31464224E+00},
                                    {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00043785886}]
"NO_df4.inp"                     = [{matcher="TDDFPT_Check_Energy", tol=4.0E-06, ref=0.31464224E+00},
                                    {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.00020832769}]
#
#EOF

