# 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
crys_per_qmmm_anal.inp            1     4e-11
crys_per_qmmm_spln.inp            1     3e-11
# none calculation + periodic -> switch off periodic
crys_per_qmmm_none.inp            1     7e-12
# check zero of the potential for charged QM systems
acn-qmmm-re.inp                   1     1e-12
# check a qm/mm nasty topology 
acn-conn-1.inp                    1     2e-10
wat_nacl.inp                     11     8e-14
