# 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
# isokinetic ensemble
H2O-5.inp                         1     2e-14
# the added_MOs keyword
H2O-6.inp                         1     2e-14
# tests BFGS and LBFGS and CG
H2-geo-1.inp       1 1E-11
H2-geo-2.inp       1
H2-geo-3.inp                      1     4e-14
H2-geo-4.inp       1 1E-13
# some problems with CU
Cu.inp             1
# test derivatives and keywords
H2O-debug-1.inp    1
H2O-debug-2.inp    1
H2O-debug-3.inp                   1     4e-14
H2O-debug-4.inp                   1     4e-14
# new colvar
C2H4-meta.inp                     1     7e-14
# improved atomic_kind
test-pdb.inp                      1     4e-14
# Spin density DDAP charges
H2O+SC.inp         0
# spin restraint
spin_restraint.inp                1     8e-12
#New grouping colvar
H2O-meta_g.inp     1
#Colvar for hydronium
H2O-meta_hydro.inp                1     4e-14
#NPT ensemble with QS
H2O-7.inp                         1     3e-14
#test wavelet based poisson solver for different boundary conditions
H2O_wavelet_free.inp              1     1e-13
H2O_wavelet_free2.inp             1     3e-14
H2O_wavelet_XZ.inp    1
#function to compute splined values - distributed grids
NO2-EFG-1.inp                    19     5e-12
H2O-8.inp                         1     2e-13
H2O-9.inp                         1     2e-13
# a system with a very small (1x1) KS matrix
H.inp                             1     2e-13
# one (ghost) atom has no basis set associated
basis_none_1.inp                  1     3e-12
basis_none_2.inp                  1     1e-12
# cell opt with a restart
cell-1.inp           7
cell-2.inp           7
#multiple ddapc restraints
He3_multi_ddapc.inp               1     3e-09
#many added MOS with LSD
N.inp                             1     2e-13
N_notfixedMM.inp                  1     2e-13
#new diagonalization
h2o-otdiag.inp                    1     4e-13
h2o-diag.inp                      1     6e-14
h2o-diag-sub.inp                  1     6e-14
h2o-otdiag-lsd.inp   1 1E-13
#external electrostatic field
H2O-extpot.inp                   11     4e-14
H-extpot.inp                     11     1e-12
H2O-analytic_vee.inp             11
H2O-read_cube.inp                11
# welltempered metadynamics
2H2O_meta_welltemp.inp            1     2e-14
ND3_meta_welltemp.inp   1
