# 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"   = []
# density calculations
"TMC_ana_density.inp"                   = [{matcher="M039", tol=1.0E-14, ref=0.13965929400215982}]
# radial distribution function
"TMC_ana_G_R.inp"                       = [{matcher="M039", tol=3.5E-03, ref=0.00512119420581984}]
# classical dipole moment writing out TMC restart file (no ana restart file)
"TMC_ana_dip_cl.inp"                    = []
# calculating the root mean squared deviation from the last cell and the average
"TMC_ana_deviation.inp"                 = [{matcher="M039", tol=3.5E-02, ref=0.76812571375286065}]
# all together for the restart case, creating the analysis input file
"TMC_ana_all.inp"                       = [{matcher="M039", tol=3.5E-02, ref=0.76812571375286065}]
# creating a not analyzed trajectory
"TMC_ana_extend_trajectory.inp"         = []
# restarting with existing analysis restart file
"TMC_ana_restart.inp"                   = [{matcher="M039", tol=3.5E-02, ref=0.75766069922260437}]
#EOF
