# 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     3e-14
# test ddapc constraints
He2_ddapc_constraint.inp          1     5e-13
He2_ddapc_constraint-2.inp        1     4e-05
He2_ddapc_constraint-3.inp        1     2e-09
# outer scf loop none
He2_none.inp                      1     3e-13
He2_none_full_all.inp             1     1e-13
He2_none_full_single.inp 1 1E-13
He2_none_full_inverse.inp         1     5e-10
He2_lumos.inp 0
# check that ot / geo / mo / pdos can be used together
H2O-geo-ot-evals.inp              1     3e-13
H2O-geo-ot-mols.inp               1     1e-13
H2O-geo-ot-pdos.inp               1     2e-13
H2O-geo-pdos.inp                  1     5e-14
H2O-geo-pdos_comp.inp             1     3e-14
H2O-geo-ot-pdos-lumo-comp.inp     1     3e-13
H2O-geo-pdos_comp_list.inp        1     3e-14
# sic ddapc decoupled
sic_ddapc_rt.inp   1 1E-11
# introduce coeff
He2_ddapc_constraint-4.inp        1     1e-12
#test constraint on becke wight population
H2-BECKE-MD.inp                   1     3e-04
H2-diffBECKE-ET_coupling.inp      1     1e-13
# just energy with sic
sic_energy.inp 1
# elf
C2H4-elf.inp  1
# analytic poisson solver
He_a_xyz.inp 1
He_a_xz.inp 1
He_a_yz.inp 1
He_a_xy.inp 1
He_a_x.inp  1
He_a_y.inp  1
He_a_z.inp  1
