# 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      2e-14            -111.98853660284664
CO_xastpxfh.inp                                        1      4e-09            -92.340788080870666
CO_xastpxfh_locall.inp                                 1      8e-12             -92.76703520816123
CO_xastpxfh_150Ry.inp                                  1      4e-12             -92.84739365620344
CO_xastpxfh_pdos.inp                                   1      2e-09            -92.340788080870666
#bug fix gpw_type
H2O_gpw.inp                                            1      2e-13             -17.10774257571033
#bug fix perdew_zunger
Ne-BP.inp                                              1    3.0E-14            -128.04346037104085
# mixed GPW/FULL_GAPW run
H2O_gpw_full_gapw.inp                                  1      2e-13             -17.10774257571033
H2O_Onopaw.inp                                         1      2e-13             -17.10774257571033
H2O_allnopaw.inp                                       1      2e-11             -16.14000416634191
H2O_Hnopaw_pp.inp                                      1      3e-12             -14.67461500144429
H_hf_gapw_forcepaw.inp                                 1      4e-13           -0.42427650604842998
H_hf_gapw_nopaw.inp                                    1      7e-13           -0.42419312869532999
H_hf_gapw_nopaw_full.inp                               1      7e-13           -0.42419312869532999
# mixed GPW/GAPW run forces
H2O_Onopaw_gop.inp                                     1      1e-13             -17.10699808931047
# GAPW element with local basis > number of projectors
Fe.inp                                                 1      6e-14           -1169.32261586004188
# GAPW with an external potential
H2O_constant_extpot_GAPW.inp                           1      2e-13            -17.156932432160339
H2O_uniform_efield_GAPW.inp                            1      2e-13             -17.15696477358598
#XAS with for beta channel
O2_xas_beta_spin.inp                                  84      2e-14             -20.79715367779695
#EOF
