# 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
#
"h2_gpw_nostore.inp"                    = [{matcher="E_total", tol=1e-12, ref=-1.12622646044780},
                                           {matcher="M092", tol=1e-8, ref=4.08481739}]

"h2_gpw_ht.inp"                         = [{matcher="E_total", tol=1e-12, ref=-1.12622646044780},
                                           {matcher="M092", tol=1e-8, ref=4.08599253}]

"h2_gpw_ht_nostore.inp"                 = [{matcher="E_total", tol=1e-12, ref=-1.12622646044780},
                                           {matcher="M092", tol=1e-8, ref=4.08599253}]

"h2_gpw_nostore_group.inp"              = [{matcher="E_total", tol=1e-12, ref=-1.12622646044780},
                                           {matcher="M092", tol=1e-8, ref=4.08481739}]

"h2_gpw_ht_group.inp"                   = [{matcher="E_total", tol=1e-12, ref=-1.12622646044780},
                                           {matcher="M092", tol=1e-8, ref=4.08599253}]

"h2_gpw_ht_nostore_group.inp"           = [{matcher="E_total", tol=1e-12, ref=-1.12622646044780},
                                           {matcher="M092", tol=1e-8, ref=4.08599253}]

"h2_gpw_ht_roks.inp"                    = [{matcher="E_total", tol=1e-12, ref=-0.54761910555768},
                                           {matcher="M092", tol=1e-8, ref=4.386293},
                                           {matcher="FCIDUMP_MS2", tol=0.0, ref=1}]
#EOF
