# 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
h2o_ot_chol_1.inp                                      1      9e-14             -17.09532117669215
h2o_ot_chol_diis_1.inp                                 1      2e-14             -17.13847256795214
h2o_ot_lwdn_1.inp                                      1      1e-13             -17.09607220197871
h2o_ot_lwdn_diis_1.inp                                 1      3e-14             -17.13832134601361
o2_ot_chol_1.inp                                       1      2e-13             -31.70785812513002
o2_ot_chol_diis_1.inp                                  1      3e-14             -31.82229826058755
o2_ot_lwdn_1.inp                                       1      2e-13             -31.70373819277881
o2_ot_lwdn_diis_1.inp                                  1      3e-14             -31.81621403029244
h2o_ot_precond_2.inp                                   1    1.0E-14             -15.99989407904090
h2o_ot_precond_3.inp                                   1    1.0E-14             -15.99989407904090
h2o_ot_precond_5.inp                                   1    1.0E-14             -15.99918948167220
h2o_ot_precond_6.inp                                   1    1.0E-14             -15.99918948167220
h2o_ot_precond_7.inp                                   1    2.0E-14             -15.97103079420190
h2o_ot_precond_8.inp                                   1    1.0E-14             -15.97103079420190
h2o_ot_precond_10.inp                                  1    1.0E-14             -16.03148125390910
h2o_ot_precond_11.inp                                  1    1.0E-14             -16.03148125390910
no_ot_precond_2.inp                                    1    1.0E-14             -24.42342773822931
no_ot_precond_3.inp                                    1    1.0E-14             -24.42342773822931
no_ot_precond_5.inp                                    1      3e-14             -24.52785846600640
no_ot_precond_6.inp                                    1      3e-14             -24.52785846600640
no_ot_precond_7.inp                                    1    1.0E-14             -24.50843741735971
no_ot_precond_8.inp                                    1    1.0E-14             -24.50843741735971
no_ot_precond_10.inp                                   1    1.0E-14             -24.51330398781535
no_ot_precond_11.inp                                   1    1.0E-14             -24.51330398781535
#EOF
