# 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

"simple_non-ortho_grid_auto.inp"        = [{matcher="E_total", tol=3e-12, ref=-19.99243423697494}]
"simple_non-ortho_grid_validate.inp"    = [{matcher="E_total", tol=3e-12, ref=-19.99243423697494}]
"simple_non-ortho_grid_ref.inp"         = [{matcher="E_total", tol=3e-12, ref=-19.99243423697494}]
"simple_non-ortho_grid_cpu.inp"         = [{matcher="E_total", tol=3e-12, ref=-19.99243423697494}]
"simple_non-ortho_grid_dgemm.inp"       = [{matcher="E_total", tol=2e-07, ref=-19.94531914447464}]

"simple_ortho_grid_auto.inp"            = [{matcher="E_total", tol=2e-14, ref=-21.04944231395059}]
"simple_ortho_grid_validate.inp"        = [{matcher="E_total", tol=2e-14, ref=-21.04944231395059}]
"simple_ortho_grid_ref.inp"             = [{matcher="E_total", tol=2e-14, ref=-21.04944231395059}]
"simple_ortho_grid_cpu.inp"             = [{matcher="E_total", tol=2e-14, ref=-21.04944231395059}]
"simple_ortho_grid_dgemm.inp"           = [{matcher="E_total", tol=2e-14, ref=-21.04944231897051}]

"H2O-1_non-ortho_grid_auto.inp"         = [{matcher="E_total", tol=1.0E-12, ref=-17.178574723910064}]
"H2O-1_non-ortho_grid_cpu.inp"          = [{matcher="E_total", tol=1.0E-12, ref=-17.178574723910064}]
"H2O-1_non-ortho_grid_dgemm.inp"        = [{matcher="E_total", tol=1.0E-12, ref=-17.178574725912100}]

"H2O-1_ortho_grid_auto.inp"             = [{matcher="E_total", tol=1.0E-12, ref=-17.178574764501384}]
"H2O-1_ortho_grid_cpu.inp"              = [{matcher="E_total", tol=1.0E-12, ref=-17.178574764501384}]
"H2O-1_ortho_grid_dgemm.inp"            = [{matcher="E_total", tol=1.0E-12, ref=-17.178574764551222}]

#EOF
