# 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
# QM/MM
"Lysozyme_small_NVT.inp"                = [{matcher="M002", tol=1.0E-14, ref=-0.663397284084E+03}]
"tyrosine_NVT.inp"                      = [{matcher="M002", tol=1.0E-14, ref=-481.71605988300001}]
#EOF
