# 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=3e-11, ref=-17.10019430634432}]
"H2O-field-gopt-lsd.inp"                = [{matcher="E_total", tol=4e-12, ref=-17.09678495224495}]
"H2O-field.inp"                         = [{matcher="E_total", tol=4e-13, ref=-16.55393361851538}]
"H2O-field-lsd.inp"                     = [{matcher="E_total", tol=4e-13, ref=-16.54297492085963}]
"H2O-field-list.inp"                    = [{matcher="M002", tol=1e-14, ref=-17.110097457}]
"H2O-field-file.inp"                    = [{matcher="M002", tol=1e-14, ref=-17.110097457}]
"HF-field.inp"                          = [{matcher="E_total", tol=1e-12, ref=-24.70767796237102}]
"HF-field-gopt.inp"                     = [{matcher="E_total", tol=1e-12, ref=-24.70292860329709}]
"HF-field-debug.inp"                    = []
"HF-dfilter-debug.inp"                  = []
"HF-dfield-gopt.inp"                    = [{matcher="E_total", tol=1e-12, ref=-24.70417205666021}]
"HF-dfield.inp"                         = [{matcher="E_total", tol=1e-12, ref=-24.70404339826408}]
"HF-dfield-debug.inp"                   = []
"HF-loc-field.inp"                      = [{matcher="E_total", tol=1e-12, ref=-24.70412191165735}]
"HF-loc-field-gopt.inp"                 = [{matcher="E_total", tol=1e-12, ref=-24.72100063320875}]
"HF-loc-field-debug.inp"                = []
#EOF
