# 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
#GEEP library for S-WAVE expansion
H2O-qmmm-gauss-14-geep-2.inp                           1      2e-14             -12.90734521130708
H2O-qmmm-gauss-14-geep-3.inp                           1      2e-14            -12.912834083299121
H2O-qmmm-gauss-14-geep-4.inp                           1      4e-14             -12.91058208430419
H2O-qmmm-gauss-14-geep-5.inp                           1      3e-14             -12.94682754743678
H2O-qmmm-gauss-14-geep-6.inp                           1      4e-14             -12.92452860733718
H2O-qmmm-gauss-14-geep-7.inp      1     4e-14             -12.92123918724425
H2O-qmmm-gauss-14-geep-8.inp                           1      1e-13             -12.91960951301941
H2O-qmmm-gauss-14-geep-9.inp                           1      2e-14             -12.91867786991166
H2O-qmmm-gauss-14-geep-10.inp     1     3e-14             -12.91834967974590
H2O-qmmm-gauss-14-geep-11.inp                          1      3e-14             -12.91820135888607
H2O-qmmm-gauss-14-geep-12.inp                          1    1.0E-14              -12.9184714476065
H2O-qmmm-gauss-14-geep-13.inp                          1      6e-14             -12.91841635717047
H2O-qmmm-gauss-14-geep-14.inp                          1      3e-14             -12.91812153532482
H2O-qmmm-gauss-14-geep-15.inp                          1    1.0E-14             -12.91839103491836
H2O-qmmm-gauss-14-geep-16.inp                          1      5e-14             -12.91855954617379
H2O-qmmm-gauss-14-geep-17.inp                          1      9e-14             -12.91861259602525
H2O-qmmm-gauss-14-geep-18.inp                          1      3e-14             -12.91839462799581
#EOF
