# 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
# test mulliken constraints
"H2O-field-gopt.inp"                    = [{matcher="E_total", tol=4e-10, ref=-5.76970818700878}]
"H2O-field-gopt-lsd.inp"                = [{matcher="E_total", tol=4e-12, ref=-5.76970797200779}]
"H2O-field.inp"                         = []
"H2O-field-lsd.inp"                     = [{matcher="E_total", tol=4e-14, ref=-5.76959233315201}]
"HF-field.inp"                          = [{matcher="E_total", tol=1e-12, ref=-5.70162277773935}]
"HF-field-gopt.inp"                     = [{matcher="E_total", tol=5e-07, ref=-5.65593182181073}]
"HF-field-debug.inp"                    = []
"HF-dfilter-debug.inp"                  = []
"HF-dfield-gopt.inp"                    = [{matcher="E_total", tol=1e-09, ref=-5.66065888870620}]
"HF-dfield.inp"                         = [{matcher="E_total", tol=1e-12, ref=-5.66052242442153}]
"HF-dfield-debug.inp"                   = []
"HF-loc-field.inp"                      = [{matcher="E_total", tol=1e-12, ref=-5.65286303322644}]
"HF-loc-field-gopt.inp"                 = [{matcher="E_total", tol=2e-08, ref=-5.65759961599548}]
"HF-loc-field-debug.inp"                = []
#EOF
