# 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
# test mulliken constraints
H2plus-rtp.inp                                         1      4e-10           -0.52809706560000003
H2plus-rtp-1.inp                                       1      4e-10           -0.52809706560000003
H2-rtp.inp                                             1      3e-13              -0.90223968349591
H2-emd.inp                                             2    1.0E-14            -0.902240019418E+00
H2plus-emd-1.inp                                       2    1.0E-14            -0.650541653984E+00
H2plus-emd.inp                                         2    1.0E-14            -0.640455127882E+00
#EOF
