# 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
#      46 compares final value of Powell optimization
#      for details see cp2k/tools/do_regtest
# LRIGPW
H2He_tz2p_lri.inp                                      1      6e-11              -3.85505731292736
H2_tz2p_lri_diag.inp                                   1      4e-11              -1.05776908391943
H2_tz2p_lri_ot.inp                                     1      3e-11              -1.10263848158573
O2_opt_lribas.inp                                     46    1.0E-14                   0.0001055025
O2_opt_lribas_contract.inp                            46    1.0E-14                   0.0107132670
O2_debug_ints.inp                                      0
H2O_lri_stress.inp                                     1      6e-13             -17.14960221355828
H2O_lri_inv_autoselect.inp                             1      6e-13             -17.14529622380567
H2O_lri_shg.inp                                        1      5e-13             -10.25090613732518
H2O_lri_molopt.inp                                     1      1e-07             -17.16069016913325
H2O_lri_ppl.inp                                       72      1e-07                     0.00096169
#EOF
