# 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
#      51 compare to the RESP charge on atom with index 1
#      for details see cp2k/tools/do_regtest
# RESP fitting
CH3OH_nonperiodic.inp 51
CH3OH_periodic.inp 51
graphite.inp 51
