# 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
#
ethanol_both_rcut10.0_e1-1_v1-1___R.inp               11      3e-14             -0.067825285296427
ethanol_both_rcut10.0_e1-1_v1-1_R_R.inp               11      4e-14             -0.051399456590101
ethanol_both_rcut10.0_e1-1_v1-1_RSR.inp               11    1.0E-14             -0.041787424987134
ethanol_both_rcut10.0_e1-1_v1-1__SR.inp               11    1.0E-14             -0.058213303930123
ethanol_both_rcut10.0_e1-1_v1-2___R.inp               11    1.0E-14             -0.052519373486897
ethanol_both_rcut10.0_e1-1_v1-2_R_R.inp               11      6e-14             -0.036093544780570
ethanol_both_rcut10.0_e1-1_v1-2_RSR.inp               11    1.0E-14             -0.026486128601906
ethanol_both_rcut10.0_e1-1_v1-2__SR.inp               11    1.0E-14             -0.042912007544895
ethanol_both_rcut10.0_e1-1_v1-3___R.inp               11    1.0E-14             -0.049870722395851
ethanol_both_rcut10.0_e1-1_v1-3_R_R.inp               11    1.0E-14             -0.033444893689524
ethanol_both_rcut10.0_e1-1_v1-3_RSR.inp               11    1.0E-14             -0.023840809773987
ethanol_both_rcut10.0_e1-1_v1-3__SR.inp               11    1.0E-14             -0.040266688716976
ethanol_both_rcut10.0_e1-1_v1-4___R.inp               11    1.0E-14             -0.049784586698598
ethanol_both_rcut10.0_e1-1_v1-4_R_R.inp               11    1.0E-14             -0.033358757992271
ethanol_both_rcut10.0_e1-1_v1-4_RSR.inp               11    1.0E-14             -0.023754819592293
ethanol_both_rcut10.0_e1-1_v1-4__SR.inp               11      5e-14             -0.040180698535282
ethanol_both_rcut10.0_e1-2_v1-1___R.inp               11    1.0E-14             -0.039767406255664
ethanol_both_rcut10.0_e1-2_v1-1_R_R.inp               11    1.0E-14             -0.035534664456785
ethanol_both_rcut10.0_e1-2_v1-1_RSR.inp               11    1.0E-14             -0.028039341778118
ethanol_both_rcut10.0_e1-2_v1-1__SR.inp               11    1.0E-14             -0.032272133723720
ethanol_both_rcut10.0_e1-2_v1-2___R.inp               11    1.0E-14             -0.024461494446134
ethanol_both_rcut10.0_e1-2_v1-2_R_R.inp               11      1e-13             -0.020228752647254
ethanol_both_rcut10.0_e1-2_v1-2_RSR.inp               11    1.0E-14             -0.012738045392889
ethanol_both_rcut10.0_e1-2_v1-2__SR.inp               11    1.0E-14             -0.016970837338492
ethanol_both_rcut10.0_e1-2_v1-3___R.inp               11    1.0E-14             -0.021812843355088
ethanol_both_rcut10.0_e1-2_v1-3_R_R.inp               11    1.0E-14             -0.017580101556208
ethanol_both_rcut10.0_e1-2_v1-3_RSR.inp               11    1.0E-14             -0.010092726564970
ethanol_both_rcut10.0_e1-2_v1-3__SR.inp               11    1.0E-14             -0.014325518510573
ethanol_both_rcut10.0_e1-2_v1-4___R.inp               11    1.0E-14             -0.021726707657834
ethanol_both_rcut10.0_e1-2_v1-4_R_R.inp               11    1.0E-14             -0.017493965858955
ethanol_both_rcut10.0_e1-2_v1-4_RSR.inp               11    1.0E-14             -0.010006736383276
ethanol_both_rcut10.0_e1-2_v1-4__SR.inp               11      1E-13          -0.014239528328878001
ethanol_both_rcut10.0_e1-3_v1-1___R.inp               11    1.0E-14             -0.025238485847246
ethanol_both_rcut10.0_e1-3_v1-1_R_R.inp               11    1.0E-14             -0.023779619348268
ethanol_both_rcut10.0_e1-3_v1-1_RSR.inp               11    1.0E-14             -0.019459360010946
ethanol_both_rcut10.0_e1-3_v1-1__SR.inp               11    1.0E-14             -0.020918276566842
ethanol_both_rcut10.0_e1-3_v1-2___R.inp               11    1.0E-14             -0.009932574037716
ethanol_both_rcut10.0_e1-3_v1-2_R_R.inp               11    1.0E-14             -0.008473707538738
ethanol_both_rcut10.0_e1-3_v1-2_RSR.inp               11    1.0E-14             -0.004158063625718
ethanol_both_rcut10.0_e1-3_v1-2__SR.inp               11    1.0E-14             -0.005616980181613
ethanol_both_rcut10.0_e1-3_v1-3___R.inp               11    1.0E-14             -0.007283922946670
ethanol_both_rcut10.0_e1-3_v1-3_R_R.inp               11    1.0E-14             -0.005825056447692
ethanol_both_rcut10.0_e1-3_v1-3_RSR.inp               11    1.0E-14             -0.001512744797799
ethanol_both_rcut10.0_e1-3_v1-3__SR.inp               11    1.0E-14             -0.002971661353694
ethanol_both_rcut10.0_e1-3_v1-4___R.inp               11    1.0E-14             -0.007197787249416
ethanol_both_rcut10.0_e1-3_v1-4_R_R.inp               11    1.0E-14             -0.005738920750438
ethanol_both_rcut10.0_e1-3_v1-4_RSR.inp               11      1e-12             -0.001426754616104
ethanol_both_rcut10.0_e1-3_v1-4__SR.inp               11    1.0E-14             -0.002885671172000
ethanol_both_rcut10.0_e1-4_v1-1___R.inp               11    1.0E-14             -0.017731465537833
ethanol_both_rcut10.0_e1-4_v1-1_R_R.inp               11    1.0E-14             -0.017738173247161
ethanol_both_rcut10.0_e1-4_v1-1_RSR.inp               11    1.0E-14             -0.016063799952427
ethanol_both_rcut10.0_e1-4_v1-1__SR.inp               11    1.0E-14             -0.016057142300378
ethanol_both_rcut10.0_e1-4_v1-2___R.inp               11    1.0E-14             -0.002425553728303
ethanol_both_rcut10.0_e1-4_v1-2_R_R.inp               11    1.0E-14             -0.002432261437631
ethanol_both_rcut10.0_e1-4_v1-2_RSR.inp               11    1.0E-14             -0.000762503567198
ethanol_both_rcut10.0_e1-4_v1-2__SR.inp               11    1.0E-14             -0.000755845915150
ethanol_both_rcut10.0_e1-4_v1-3___R.inp               11      9e-12              0.000223097362743
ethanol_both_rcut10.0_e1-4_v1-3_R_R.inp               11    1.0E-14              0.000216389653415
ethanol_both_rcut10.0_e1-4_v1-3_RSR.inp               11    1.0E-14              0.001882815260721
ethanol_both_rcut10.0_e1-4_v1-3__SR.inp               11    1.0E-14              0.001889472912769
ethanol_both_rcut10.0_e1-4_v1-4___R.inp               11    1.0E-14              0.000309233059997
ethanol_both_rcut10.0_e1-4_v1-4_R_R.inp               11    1.0E-14              0.000302525350669
ethanol_both_rcut10.0_e1-4_v1-4_RSR.inp               11    1.0E-14              0.001968805442415
ethanol_both_rcut10.0_e1-4_v1-4__SR.inp               11    1.0E-14              0.001975463094463
#EOF
