# 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
Ar.inp                            1     3e-13
NO2_lsd.inp                       1     5e-14
#Harris funcional 
H2O-harris.inp                    1     4e-14
H2O-MD-harris.inp                 1     5e-14
#Force consistency via FDs
H2O-Harris-Debug-SCF.inp 1
H2O-Harris-Debug-NoSCF.inp 1
#QS
Ar-2.inp                          1     3e-13
Ar-3.inp                          1     7e-13
H2O_tddfpt.inp     0
H2O-tddfpt-saop.inp               1     1e-13
Ar-4.inp                          1     4e-13
Ar-5.inp                          1     4e-13
pyridine.inp                      1     2e-13
Ar-12.inp          1
# these should in fact have all 'identical' energies
Ar-6.inp                          1     2e-13
Ar-7.inp                          1     2e-13
Ar-8.inp                          1     2e-13
# 
Ar-9.inp                          1     2e-13
Ar-10.inp                         1     2e-13
Ar-11.inp                         1     2e-13
# b97grimme and electronic kineitc energy
Ar-13.inp                         1     8e-13
# different pseudo style
K2.inp                            1     1e-12
H2.inp             1
# printing of structure data
H2O-geoopt.inp                    1     4e-14
H2O-fixed.inp      1
h2o_dip_berry.inp  17
h2o_dip_iso.inp    17
#pre-processor
H2-inpp.inp        0
# vdW correction
vdW_PP_GRIMME.inp  33
# core_ppl on grid
core_pp_1.inp                     1     8e-14
core_pp_2.inp                     1     3e-14
# vdW correction
vdW_PP_GRIMME_p1.inp 33
vdW_PP_GRIMME_p2.inp 33
# finer xc grids
Ar-fine-1.inp                     1     4e-14
# a basis none first kind
H2O-none.inp                      1     3e-14
# extended pseudopotentials
h4.t1.inp 1
h4.t2.inp                         1     2e-13
h4.t3.inp                         1     9e-14
h4.t4.inp                         1     5e-14
h4.t5.inp 1
h2.t1.inp                         1     9e-14
h2.t2.inp                         1     5e-14
# EV93 xc functional
Li2-0-SCF-PBE.inp 53
Li2-1-nSCF-EV.inp 53
Li2-2-nSCF-EV93.inp 53
Li2-3-nSCF-EV93.inp 52
Li2-4-nSCF-EV93.inp 48
# debug
Ne_debug.inp                      1     1e-13
# changing sparsities (for various methods)
Ar-ref-1.inp                      1
Ar-ref-2.inp                      1
Ar-ref-3.inp                      1
Ar-ref-4.inp                      1
Ar-ref-5.inp                      1
Ar-ref-6.inp                      1
