# 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
"H2plus-rtp.inp"                        = [{matcher="E_total", tol=4e-10, ref=-0.52809706560000003}]
"H2plus-rtp-1.inp"                      = [{matcher="E_total", tol=4e-10, ref=-0.52809706560000003}]
"H2-rtp.inp"                            = [{matcher="E_total", tol=3e-13, ref=-0.90223968349591}]
"H2-emd.inp"                            = [{matcher="M002", tol=1.0E-14, ref=-0.902240019418E+00}]
"H2plus-emd-1.inp"                      = [{matcher="M002", tol=1.0E-14, ref=-0.650541653984E+00}]
"H2plus-emd.inp"                        = [{matcher="M002", tol=1.0E-14, ref=-0.640455127882E+00}]
#EOF
