# 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
h2o_LRraman.inp                                       60      1e-04                 0.006179870499
h2o_LRraman_loc.inp                                   60      1e-04                 0.009267643345
h2o_LRraman_noort.inp                                 60      2e-05                 0.020215112241
H2O_md_polar.inp                                      60      6e-04                 0.619379304308
xTB_LRraman.inp                                       60      2e-05                 0.807352993847
xTB_LRraman_loc.inp                                   60      2e-05                 0.807352993847
h2o_LRraman_LRI.inp                                   60      4e-04                 0.004283834553
#EOF
