# 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"                   = [{matcher="M039", tol=1.0E-14, ref=0.12331219268613364}]
# radial distribution function
"TMC_ana_G_R.inp"                       = [{matcher="M039", tol=1.0E-14, ref=0.002560696691107978}]
# classical dipole moment writing out TMC restart file (no ana restart file)
"TMC_ana_dip_cl.inp"                    = [{matcher="M039", tol=4.0E-14, ref=0.12598475574494472}]
# calculating the root mean squared deviation from the last cell and the average
"TMC_ana_deviation.inp"                 = [{matcher="M039", tol=1.0E-14, ref=0.31519140517024735}]
# creating a not analyzed trajectory
"TMC_ana_create_traj_without_ana.inp"   = []
# testing the analysis starting with existing old trajectory
"TMC_ana_start_with_exist_traj.inp"     = [{matcher="M039", tol=1.0E-14, ref=0.49448804287808246}]
# restarting with existing analysis restart file
"TMC_ana_restart.inp"                   = [{matcher="M039", tol=1.0E-14, ref=0.53023035795615681}]
# restarting
#EOF
