# 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_f12.inp"                           = [{matcher="E_total", tol=1.0E-12, ref=-5.85052842359978}]
"h2o_f13.inp"                           = [{matcher="E_total", tol=1.0E-12, ref=-5.76860088550339}]
"h2o_f14.inp"                           = [{matcher="E_total", tol=1.0E-12, ref=-5.76860088550339}]
#h2o_f15.inp                                                1    1.0E-12               0.000000E+00 
#h2o_f16.inp                                                1    1.0E-12               0.000000E+00      
#h2o_f17.inp                                                1    1.0E-12               0.000000E+00     
"h2o_f18.inp"                           = [{matcher="E_total", tol=1.0E-12, ref=-5.76904757361574}]
#h2o_f19.inp                                                1    1.0E-12               0.000000E+00   
#EOF
