# 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
# some tests of restricted
N3-1.inp                                               1      1e-13            -29.598211921644399
N3-2.inp                                               1      4e-12            -29.659321253359352
# some tests of SIC needs restarting from N3-1 for stability
# teo: no need anymore due to the new way of handling the restart
#      file. it's not overwritten anymore..
N3-3.inp                                               1      3e-10              -29.4910404064658
N3-4.inp                                               1      3e-11            -29.213932667007061
N3-5.inp                                               1      5e-11             -29.50636857199127
N3-6.inp                                               1      2e-10            -29.471559007370779
N3-7.inp                                               1      4e-11            -29.342459957275711
N3-8.inp                                               1      1e-11             -27.49588871787245
N3-9.inp                                               1      8e-07            -29.518552099878299
N3-10.inp                                              1      1E-12             -29.76885495897163
# further sics
H2O-sic-ad-1.inp                                       1      6e-14            -16.094793666360811
H2O-sic-ad-2.inp                                       1      4e-14             -16.19211475613548
# running H LSD
H-1.inp                                                1      1e-13               -0.4874782292714
H-2.inp                                                1      8e-14           -0.48747588716604001
# elec_conf
H2O-1.inp                                              1      5e-14             -15.42239208980648
# outer scf with FULL_ALL
H2O.inp                                                1      3e-13            -17.161506371746711
# different parallel distributions
H2O-dist-1.inp                                         1    1.0E-14             -34.28553811083832
H2O-dist-2.inp                                         1    1.0E-14             -34.28553811083832
H2O-dist-3.inp                                         1    1.0E-14             -34.28553811083832
H2O-dist-4.inp                                         1    1.0E-14             -34.28553811083832
H2O-dist-8.inp                                         1      8e-14             -33.47012389900128
H2_trip.inp                                            1      2e-12              -0.71619563505473
C-sic-1.inp                                            1      5e-13              -5.25260233025760
C-sic-2.inp                                            1      1e-13              -5.28420619605309
# ot with fractional occupations
C_ot.inp                                               1      1e-13              -5.33746454516253
# use of the fermi distribution
C_fermi.inp                                            1      1e-13              -5.34109284627944
Al_fermi.inp                                           1      5e-14            -8.1729683875061294
# go through planned FFTs, but don't check results, they will depend on the selected plan
H2O-plan-2.inp                                         0
H2O-plan-3.inp                                         0
#broyden minimization
H2O-broy.inp                                           1    1.0E-14             -15.92280632374937
#BASIC_SPATIAL_DISTRIBUTION test
H2O-dist-17.inp                                        1      8e-14             -33.47012389900128
#EOF
