# 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
H2O-qmmm-gauss-14-geep-2.inp                           1      2e-12             -12.90417644796692
H2O-qmmm-gauss-14-geep-3.inp                           1      2e-12             -12.90712061196071
H2O-qmmm-gauss-14-geep-4.inp                           1      2e-12             -12.90733560862245
H2O-qmmm-gauss-14-geep-5.inp                           1      8e-13             -12.92642686633922
H2O-qmmm-gauss-14-geep-6.inp                           1      1e-12            -12.922306022304049
H2O-qmmm-gauss-14-geep-7.inp                           1      1e-12             -12.91849696653665
H2O-qmmm-gauss-14-geep-8.inp                           1      2e-12             -12.91621682584684
H2O-qmmm-gauss-14-geep-9.inp                           1      2e-12            -12.914371661785999
H2O-qmmm-gauss-14-geep-10.inp                          1      2e-12             -12.91328069126081
H2O-qmmm-gauss-14-geep-11.inp                          1      2e-12             -12.91297474165067
H2O-qmmm-gauss-14-geep-12.inp                          1      2e-12             -12.91332340555361
H2O-qmmm-gauss-14-geep-13.inp                          1      2e-12             -12.91325023093564
H2O-qmmm-gauss-14-geep-14.inp                          1      2e-12             -12.91299456139047
H2O-qmmm-gauss-14-geep-15.inp                          1      2e-12             -12.91325018773841
H2O-qmmm-gauss-14-geep-16.inp                          1      2e-12             -12.91325925146546
H2O-qmmm-gauss-14-geep-17.inp                          1      2e-12            -12.913367183821659
H2O-qmmm-gauss-14-geep-18.inp                          1      2e-12              -12.9133675363151
#EOF
