# 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                                   2    1.0E-14            -0.913069017786E+01
nh3_g4x6_excl_qm.inp                                   2    1.0E-14            -0.913127863162E+01
water_colv_excl_mm.inp                                 2    1.0E-14            -0.128071776255E+02
water_colv_excl_qm.inp                                 2    1.0E-14            -0.128078086386E+02
water_fixd_excl_mm.inp                                 2    1.0E-14            -0.128094856912E+02
water_fixd_excl_qm.inp                                 2    1.0E-14            -0.128087667071E+02
water_g3x3_excl_mm.inp                                 2    1.0E-14            -0.128057061878E+02
water_g3x3_excl_qm.inp                                 2    1.0E-14            -0.128090813557E+02
# QMMM with manybody potential
Si_tersoff_qmmm.inp                                    3      2e-13            -3418.0680930896369
#EOF
