# 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
# Check noncollinear kernel for optimizations using LDA, GGA and global Hybrid functional
"h2o_pade_opt.inp"                       = [{matcher="E_total", tol=1.0E-11, ref=-16.83108497678968}]
"h2o_pbe_opt.inp"                        = [{matcher="E_total", tol=1.0E-06, ref=-16.93819797172962}]
"h2o_pbe0_opt.inp"                       = [{matcher="E_total", tol=1.0E-11, ref=-16.94121129393531}]
#
#EOF
