# 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 with shell model
input_rigid.inp                  11     1e-11           -178.836492438299302
input_shell.inp                  11     1e-11           -178.836492441821463
#EOF
