# 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 analysis is tested, average values and sums of results
# testing the "stand alone" analysis tool
# first single calculations and then restarting 
# create trajectory to analyse
TMC_ana_create_traj_without_ana.inp 0
# density calculations
TMC_ana_density.inp 39
# radial distribution function
TMC_ana_G_R.inp 39
# classical dipole moment writing out TMC restart file (no ana restart file)
TMC_ana_dip_cl.inp 39
# calculating the root mean squared deviation from the last cell and the average
TMC_ana_deviation.inp 39
# all together for the restart case, creating the analysis input file
TMC_ana_all.inp 39
# creating a not analyzed trajectory
TMC_ana_extend_trajectory.inp 0
# restarting with existing analysis restart file
TMC_ana_restart.inp 39
