# 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"                       = [{matcher="M060", tol=1e-04, ref=0.006179870499}]
"h2o_LRraman_loc.inp"                   = [{matcher="M060", tol=1e-04, ref=0.009267643345}]
"h2o_LRraman_noort.inp"                 = [{matcher="M060", tol=2e-05, ref=0.020215112241}]
"H2O_md_polar.inp"                      = [{matcher="M060", tol=6e-04, ref=0.619379304308}]
"xTB_LRraman.inp"                       = [{matcher="M060", tol=2e-05, ref=0.807352993847}]
"xTB_LRraman_loc.inp"                   = [{matcher="M060", tol=2e-05, ref=0.807352993847}]
"h2o_LRraman_LRI.inp"                   = [{matcher="M060", tol=4e-04, ref=0.004283834553}]
#EOF
