# 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            -17.095321247896301
h2o_ot_chol_diis_1.inp                                 1      2e-14             -17.13847256749313
h2o_ot_lwdn_1.inp                                      1      1e-13            -17.096072268637169
h2o_ot_lwdn_diis_1.inp                                 1      3e-14             -17.13832134553816
o2_ot_chol_1.inp                                       1      6e-14             -31.70785812281547
o2_ot_chol_diis_1.inp                                  1      3e-14             -31.82229826012323
o2_ot_lwdn_1.inp                                       1      5e-14             -31.70373819150785
o2_ot_lwdn_diis_1.inp             1     3e-14            -31.816214030680051
h2o_ot_precond_2.inp                                   1    1.0E-14             -15.99989407894976
h2o_ot_precond_3.inp                                   1    1.0E-14             -15.99989407894976
h2o_ot_precond_5.inp                                   1    1.0E-14             -15.99918948158304
h2o_ot_precond_6.inp                                   1    1.0E-14             -15.99918948158304
h2o_ot_precond_7.inp                                   1    1.0E-14             -15.97103079410609
h2o_ot_precond_8.inp                                   1    1.0E-14             -15.97103079410609
h2o_ot_precond_10.inp                                  1    1.0E-14            -16.031481253819191
h2o_ot_precond_11.inp                                  1    1.0E-14            -16.031481253819191
no_ot_precond_2.inp                                    1    1.0E-14             -24.42342773825242
no_ot_precond_3.inp                                    1    1.0E-14             -24.42342773825242
no_ot_precond_5.inp                                    1      3e-14            -24.527858466033219
no_ot_precond_6.inp                                    1      3e-14             -24.52785846603323
no_ot_precond_7.inp                                    1    1.0E-14             -24.50843741738434
no_ot_precond_8.inp                                    1    1.0E-14             -24.50843741738434
no_ot_precond_10.inp                                   1    1.0E-14             -24.51330398784121
no_ot_precond_11.inp                                   1    1.0E-14             -24.51330398784121
#EOF
