# 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

simple_non-ortho_grid_auto.inp                             1     1e-12           -18.04976254476928
simple_non-ortho_grid_validate.inp                         1     1e-12           -18.04976254476928
simple_non-ortho_grid_ref.inp                              1     1e-12           -18.04976254476928
simple_non-ortho_grid_cpu.inp                              1     1e-12           -18.04976254476928
simple_non-ortho_grid_dgemm.inp                            1     4e-08           -18.05635361766292

simple_ortho_grid_auto.inp                                 1     2e-14           -21.04944231395059
simple_ortho_grid_validate.inp                             1     2e-14           -21.04944231395059
simple_ortho_grid_ref.inp                                  1     2e-14           -21.04944231395059
simple_ortho_grid_cpu.inp                                  1     2e-14           -21.04944231395059
simple_ortho_grid_dgemm.inp                                1     2e-14           -21.04944231897051

H2O-1_non-ortho_grid_auto.inp                              1   1.0E-12           -17.178574723910064
H2O-1_non-ortho_grid_cpu.inp                               1   1.0E-12           -17.178574723910064
H2O-1_non-ortho_grid_dgemm.inp                             1   1.0E-12           -17.178574725912100

H2O-1_ortho_grid_auto.inp                                  1   1.0E-12           -17.178574764501384
H2O-1_ortho_grid_cpu.inp                                   1   1.0E-12           -17.178574764501384
H2O-1_ortho_grid_dgemm.inp                                 1   1.0E-12           -17.178574764551222

#EOF
