# 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
O2-UKS-NMR-1.inp                                      14      2e-03                        681.255
O2-UKS-NMR-2.inp                                      14      1e-03             681.84900000000000
O2-UKS-NMR-3.inp                                      14      3e-04                        681.173
O2-UKS-NMR-4.inp                                      14      2e-03             714.20500000000000
O2-UKS-NMR-5.inp                                      14      1e-03             681.84800000000000
O2-UKS-NMR-6.inp                                      14      1e-03             681.84800000000000
O2-UKS-NMR-7.inp                                      14      8e-04             681.23100000000000
O2-UKS-NMR-8.inp                                      14      1e-03             681.81100000000000
O2-UKS-NMR-9.inp                                      14      2e-04             681.33700000000000
O2-UKS-NMR-10.inp                                     14      8e-04             681.23100000000000
O2-UKS-NMR-11.inp                                     14      1e-03             681.82000000000000
O2-UKS-NMR-12.inp                                     14      4e-03             683.86200000000000
#EOF
