# 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
"nh3_g4x6_excl_mm.inp"                  = [{matcher="M002", tol=1.0E-14, ref=-0.913069017786E+01}]
"nh3_g4x6_excl_qm.inp"                  = [{matcher="M002", tol=1.0E-14, ref=-0.913127863162E+01}]
"water_colv_excl_mm.inp"                = [{matcher="M002", tol=1.0E-14, ref=-0.128071776255E+02}]
"water_colv_excl_qm.inp"                = [{matcher="M002", tol=1.0E-14, ref=-0.128078086386E+02}]
"water_fixd_excl_mm.inp"                = [{matcher="M002", tol=1.0E-14, ref=-0.128094856912E+02}]
"water_fixd_excl_qm.inp"                = [{matcher="M002", tol=1.0E-14, ref=-0.128087667071E+02}]
"water_g3x3_excl_mm.inp"                = [{matcher="M002", tol=1.0E-14, ref=-0.128057061878E+02}]
"water_g3x3_excl_qm.inp"                = [{matcher="M002", tol=1.0E-14, ref=-0.128090813557E+02}]
# QMMM with manybody potential
"Si_tersoff_qmmm.inp"                   = [{matcher="M003", tol=2e-13, ref=-3418.0682442080492}]
#EOF
