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