# 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
H2O-ls-emd.inp                                         1      1e-11                 -17.0890686606
H2O-ls-emd-ngs.inp                                     1    1.0E-14                 -17.02550719708634 
H2O-ls-rtp-bch.inp                1     2e-14             -17.08907730649009
H2O-ls-rtp.inp                    1     6e-14             -17.08907732640686
H2O-ls-rtp-scf-restart.inp        1     6e-14             -17.08907732640686
H2O-ls-emd-scf-restart.inp                             1      1e-11                 -17.0890686606
H2O-ls-emd-mcweeny.inp                                 1      1e-11                 -17.0890686606
H2O-ls-emd-mcweeny-rt-restart.inp                      1      1e-11                 -17.0890598734
emd-KG.inp                                             1      1e-14                 -18.10682698881515
H2plus-ls-rtp.inp                 1     2e-12              -0.52809708162056
H2plus-ls-rtp2.inp                1     3e-13              -0.53624166156286
H2O-ls-ortho-emd.inp              1     6e-14             -17.08899746632009
H2O-ls-emd-mixing.inp             1     2e-11                 -17.0889404255
#EOF
