# 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
H2O-gapw-gth.inp                  1     3e-14
H2O-gapw-all.inp   1
H2O-gapw-all_localize.inp 23
H2O-gapw-all_localize_crazy.inp  23
H2O-gapw-all_loc_list.inp        23     2e-10
H2O-gapwxc-gth.inp                1     2e-13
# test with presence of soft S
H2S-gapw.inp                      1     9e-14
# tests GAPW  6-311++G(3df,3pd)
HF_gapw_all_LB.inp                1     4e-13
# tests GAPW  6-311++G(3df,3pd) and LSD
OF_gapw_all_lsd_LB.inp            1     3e-14
# keep special case alive
H-gapw-all.inp                    1     2e-13
# test the full_all with LSD and GAPW
He2-all.inp                       1     3e-13
He2-all-md.inp                    1     2e-13
# new option : stride_xyz
H2O-gapw-gth-pvh.inp              1     3e-14
# localization with non orthorhombic cell
H2O-gapw-all_noortho.inp  1
H2O-gapw-all_localize_noortho.inp   23     3e-11
H2O-gapw-all_localize_crazy_noortho.inp  23
# TPSS functional
Be_GAPW.inp                       1     7e-13
# Single atom isolated function
Na_atom.inp                       1     5e-13
#
h2o_dist.inp                      1     3e-13
H2S-gapw-gop.inp                  1     2e-13
H2S-gapw-ot.inp                   1     2e-13
H2S-gapw-gop-ot.inp               1     1e-13
# XRD total density output to file
xrd.inp            0
