# 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
C2H4-init.inp      1
C2H4.inp           1
# test ddapc constraints
He2_ddapc_constraint.inp 1
He2_ddapc_constraint-2.inp 1
He2_ddapc_constraint-3.inp 1
# outer scf loop none
He2_none.inp 1
He2_none_full_all.inp 1
He2_none_full_single.inp 1
He2_none_full_inverse.inp 1
He2_lumos.inp 0
# check that ot / geo / mo / pdos can be used together
H2O-geo-ot-evals.inp 1
H2O-geo-ot-mols.inp 1
H2O-geo-ot-pdos.inp  1
H2O-geo-pdos.inp  1
H2O-geo-pdos_comp.inp 1
H2O-geo-ot-pdos-lumo-comp.inp 1
H2O-geo-pdos_comp_list.inp   1
# sic ddapc decoupled
sic_ddapc_rt.inp   1
# introduce coeff
He2_ddapc_constraint-4.inp 1
#test constraint on becke wight population
H2-BECKE-MD.inp 1
H2-diffBECKE-ET_coupling.inp 1
# just energy with sic
sic_energy.inp 1
