# 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
#
# KG MD test
h2o.inp 2
h2o_energy.inp 1
h2o-2.inp 2
# KG POLMD test
# first optimize coefficients
nai-0.inp 0
# then run md
nai-1.inp 2
nai-2.inp 2
nai-3.inp 0
nai-4.inp 2
# CSVR thermostat
nai-5.inp 2
# KG_GPW
kg_gpw_1H2O_TF.inp 1
kg_gpw_2H2O_llp.inp 1
kg_gpw_2H2O_ppot.inp 1
kg_gpw_2H2O_pbellp_geoch.inp 1
kg_gpw_2H2O_md.inp 1
