# 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-field-gopt.inp                                     1      3e-11             -16.82099420860903
H2O-field-gopt-lsd.inp                                 1      4e-12             -16.84348812829990
H2O-field.inp                                          1      4e-13             -15.90320150373305
H2O-field-lsd.inp                                      1      4e-14             -15.92914916395207
HF-field.inp                                           1      1e-12             -24.70767796237102
HF-field-gopt.inp                                      1      1e-12             -24.70292863028889
HF-field-debug.inp                                     0      1e-12
HF-dfilter-debug.inp                                   0      1e-12
HF-dfield-gopt.inp                                     1      1e-12             -24.70417205608725
HF-dfield.inp                                          1      1e-12             -24.70404339826408
HF-dfield-debug.inp                                    0      1e-12
HF-loc-field.inp                                       1      1e-12             -24.70412191165735
HF-loc-field-gopt.inp                                  1      1e-12             -24.72100063320875
HF-loc-field-debug.inp                                 0      1e-12
#EOF
