# 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
hbn3_1h2o_ff.inp                                      17      1e-04                     7.74580826
hbn3_1h2o_ff_pyz.inp                                  17      1e-04                    29.69556150
hbn3_1h2o_dipcor_ff.inp                               17      1e-04                    13.98211673
hbn3_1h2o_dipcor_ff_pyz.inp                           17      1e-04                    31.14758046
hbn3_1h2o_ff_pyz_2dps.inp                             17      1e-04                    30.9500356
#EOF
