# 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
"H2O-NMR-1.inp"                         = [{matcher="M014", tol=4.0E-03, ref=0.605916E+02}]
"H2O-NMR-1_rst.inp"                     = [{matcher="M014", tol=4.0E-03, ref=0.605916E+02}]
"H2O-NMR-2.inp"                         = [{matcher="M014", tol=1.0E-03, ref=0.605387E+02}]
"H2O-NMR-3.inp"                         = [{matcher="M014", tol=1.0E-03, ref=0.604205E+02}]
"H2O-NMR-4.inp"                         = [{matcher="M014", tol=3.0E-02, ref=0.751661E+02}]
"H2O-NMR-5.inp"                         = [{matcher="M014", tol=1.0E-03, ref=0.605387E+02}]
"H2O-NMR-6.inp"                         = [{matcher="M014", tol=1.0E-03, ref=0.605387E+02}]
"H2O-NMR-7.inp"                         = [{matcher="M014", tol=1.0E-02, ref=0.605916E+02}]
"H2O-NMR-8.inp"                         = [{matcher="M014", tol=1.0E-03, ref=0.605387E+02}]
"H2O-NMR-9.inp"                         = [{matcher="M014", tol=1.0E-03, ref=0.604205E+02}]
"H2O-NMR-10.inp"                        = [{matcher="M014", tol=4.0E-03, ref=0.605916E+02}]
"H2O-NMR-11.inp"                        = [{matcher="M014", tol=1.0E-03, ref=0.605387E+02}]
"H2O-NMR-12.inp"                        = [{matcher="M014", tol=1.0E-03, ref=0.606583E+02}]
# linres as post sc
"H2O-NMR-1-postene.inp"                 = [{matcher="M014", tol=4.0E-03, ref=0.605916E+02}]
"H2O-NMR-1-postgeo.inp"                 = [{matcher="M014", tol=5.0E-03, ref=0.641761E+02}]
#EOF
