# 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
#
# compute ground state for graphene with PBE and SZV
# compute the dipole moments for kpoints in the &DFT section
"C2_pbe_scf_kp.inp"                     = [{matcher="Dipole_at_kp_1", tol=1.0E-06, ref=0.544}]
# compute the dipole moments for kpoints provided via &KPOINTS in the &MOMENTS section
"C2_pbe_moment_kp.inp"                  = [{matcher="Dipole_at_kp_1", tol=1.0E-06, ref=0.344}]
# compute the dipole moments for kpoints provided via &KPOINT_SET in the &MOMENTS section
# and ensure matching of Berry Curvature
"C2_pbe_moment_kpset.inp"               = [{matcher="BC_near_K_point", tol=1.0E-01, ref=-7100}]
# compute dipole for open shell system of monolayer CrSBr
"CrSBr_open_shell.inp"                  = [{matcher="Dipole_for_CrSBr", tol=1.0E-06, ref=0.298E-01}]
#EOF
