# 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            -29.598211761677990
N3-2.inp                                               1      1e-11            -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            -29.491040406465800
N3-4.inp                                               1      3e-11            -29.213932668608030
N3-5.inp                                               1      5e-11            -29.506368574290280
N3-6.inp                                               1      2e-10            -29.471559007370779
N3-7.inp                                               1      4e-11            -29.342459964811640
N3-8.inp                                               1      2e-11            -27.495888805583650
N3-9.inp                                               1      8e-07            -29.518552099878299
N3-10.inp                                              1      2e-12            -29.768854965665940
# further sics
H2O-sic-ad-1.inp                                       1      6e-14             -16.09479367271414
H2O-sic-ad-2.inp                                       1      4e-14             -16.19211475613392
# 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             -15.42239209735920
# outer scf with FULL_ALL
H2O.inp                                                1      4e-13             -17.16150637179184
# different parallel distributions
H2O-dist-1.inp                                         1      8e-14             -34.28553811389267
H2O-dist-2.inp                                         1      8e-14             -34.28553811389267
H2O-dist-3.inp                                         1      8e-14             -34.28553811389267
H2O-dist-4.inp                                         1      8e-14             -34.28553811389267
H2O-dist-8.inp                                         1      9e-14             -33.47012389900991
H2_trip.inp                                            1      2e-12              -0.71619563505473
C-sic-1.inp                                            1      5e-13              -5.25260234791279
C-sic-2.inp                                            1      1e-13              -5.28420620593518
# 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              -8.17296838715160
# 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    5.0E-14             -15.92280592863554
#BASIC_SPATIAL_DISTRIBUTION test
H2O-dist-17.inp                                        1      9e-14             -33.47012389900991
#EOF
