# 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
#Periodic calculation
crys_per_qmmm.inp                                      1      7e-12          -0.08375440741138
crys_per_qmmm_anal.inp                                 1      4e-11          -0.03306937253896
crys_per_qmmm_spln.inp                                 1      4e-11          -0.03306936689191
# none calculation + periodic -> switch off periodic
crys_per_qmmm_none.inp                                 1      7e-12          -0.08375440741161
# check zero of the potential for charged QM systems
acn-qmmm-re.inp                                        1      1e-12         -14.78512402427952
# check a qm/mm nasty topology
acn-conn-1.inp                                         1      4e-09        -291.88277947852032
wat_nacl.inp                                          11      2e-13        -16.691503876246994
#EOF
