# 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
#      46 compares final value of Powell optimization
#      for details see cp2k/tools/do_regtest
# LRIGPW
"H2He_tz2p_lri.inp"                     = [{matcher="E_total", tol=6e-11, ref=-3.85505731292736}]
"H2_tz2p_lri_diag.inp"                  = [{matcher="E_total", tol=4e-11, ref=-1.05776908391943}]
"H2_tz2p_lri_ot.inp"                    = [{matcher="E_total", tol=4e-11, ref=-1.10894658811039}]
"O2_opt_lribas.inp"                     = [{matcher="M046", tol=1.0E-14, ref=0.0001055025}]
"O2_opt_lribas_contract.inp"            = [{matcher="M046", tol=1.0E-14, ref=0.0107132670}]
"O2_debug_ints.inp"                     = []
"H2O_lri_stress.inp"                    = [{matcher="E_total", tol=6e-13, ref=-17.14960221355828}]
"H2O_lri_inv_autoselect.inp"            = [{matcher="E_total", tol=6e-13, ref=-17.14529622380567}]
"H2O_lri_shg.inp"                       = [{matcher="E_total", tol=5e-13, ref=-10.25090613732518}]
"H2O_lri_molopt.inp"                    = [{matcher="E_total", tol=1e-07, ref=-17.16069016913325}]
"H2O_lri_ppl.inp"                       = [{matcher="M072", tol=2e-06, ref=9.61688740E-04}]
#EOF
