# 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
#      6 looks for the final energy of the MC simulation
#      for details see cp2k/tools/do_regtest
#
# The whole TMC on the fly analysis is tested, average values and sums of results
# testing the "on the fly" analysis tool starting to analyse the previous elements from directory and the new ones
# density calculations
TMC_ana_density.inp                                   39    1.0E-14            0.12331219268613364
# radial distribution function
TMC_ana_G_R.inp                                       39    1.0E-14           0.002560696691107978
# classical dipole moment writing out TMC restart file (no ana restart file)
TMC_ana_dip_cl.inp                                    39    4.0E-14            0.12598475574494472
# calculating the root mean squared deviation from the last cell and the average
TMC_ana_deviation.inp                                 39    1.0E-14            0.31519140517024735
# creating a not analyzed trajectory
TMC_ana_create_traj_without_ana.inp                    0
# testing the analysis starting with existing old trajectory
TMC_ana_start_with_exist_traj.inp                     39    1.0E-14            0.49448804287808246
# restarting with existing analysis restart file
TMC_ana_restart.inp                                   39    1.0E-14            0.53023035795615681
# restarting
#EOF
