# 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
# QM/MM
"Cu-H2-qmmm-image-1.inp"                = [{matcher="E_total", tol=4e-12, ref=-1.11673069976103}]
"Cu-H2-qmmm-image-1-gpw.inp"            = [{matcher="E_total", tol=4e-12, ref=-1.11673069976103}]
"Cu-H2-qmmm-image-2.inp"                = [{matcher="E_total", tol=4e-12, ref=-1.15440438005054}]
"Cu-H2-qmmm-image-3.inp"                = [{matcher="E_total", tol=4e-12, ref=-1.11673069976121}]
"Cu-H2-qmmm-image-4.inp"                = [{matcher="E_total", tol=2e-13, ref=-1.11520145054562}]
#EOF
