# 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
# tests GAPW GTH and ALL
#XAS
CO.inp                                                 1      8e-14            -110.24233125201312
CO_xastphh.inp                                         1      1e-13            -100.25171072116430
CO_xastphh_r.inp                                       1      1e-13             -90.51322995242667
CO_xastpfh.inp                                         1      6e-14             -79.09997117400218
# multiple initial state
CH3SH_xastpfh_overlap.inp                              1       5e-7            -430.51922534155161
# choice of initial state from input
CH3SH_xastpfh_list.inp                                 1       5e-7            -430.51907934798288
# density mixing
c8_pmix_gapw_all.inp                                   1      4e-04            -302.63376760933824
c8_pmix_gapw_all_xashh.inp                             1      1e-04            -297.77088288250752
c8_broy_gapw_all.inp                                   1      1e-13            -303.71942702489218
c8_broy_gapw_all_xashh.inp                             1      2e-11            -294.57321406651721
# different scf_env
CO_xastpfh_gsot.inp                                    1      8e-14             -79.09997113686542
# XAS TP choice of core occ from input
CO_xastpflex.inp                                       1      1e-13            -104.77564814878426
CO_xastpflex_c0.3l0.7.inp                              1      1e-05            -96.350590808933305
CO_xastpflex_c0.3.inp                                  1      1e-13            -96.243337525982160
#EOF
