# 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
"ch2o_1.inp"                            = [{matcher="E_total", tol=1.0E-12, ref=-6.46518011482464}]
"ch2o_2.inp"                            = []
"ch2o_3.inp"                            = [{matcher="E_total", tol=1.0E-12, ref=-6.46539779335817}]
"ch2o_4.inp"                            = []
"ch2o_5.inp"                            = []
"ch2o_6.inp"                            = []
"ch2o_7.inp"                            = []
"ch2o_8.inp"                            = []
"ch2o_9.inp"                            = []
"si_kp.inp"                             = []
"si_kp_kpsym.inp"                       = [{matcher="E_total", tol=1.0E-11, ref=-13.92586350112312},
                                           {matcher="N_special_kpoints", tol=0.0, ref=4},
                                           {matcher="M072", tol=1.0E-12, ref=0.0},
                                           {matcher="M031", tol=1.0E-5, ref=2.61113942316E+04}]
"si_kp_kpsym_atomdisp.inp"              = [{matcher="E_total", tol=1.0E-11, ref=-13.92586348551223},
                                           {matcher="N_special_kpoints", tol=0.0, ref=12}]
"si_kp_spglib_backend.inp"              = [{matcher="E_total", tol=1.0E-11, ref=-13.92586350112312},
                                           {matcher="N_special_kpoints", tol=0.0, ref=4},
                                           {matcher="M072", tol=1.0E-12, ref=0.0},
                                           {matcher="M031", tol=1.0E-5, ref=2.61113942316E+04}]
"si_kp_spglib_reduction_atomdisp.inp"   = [{matcher="E_total", tol=1.0E-11, ref=-13.92586348551223},
                                           {matcher="N_special_kpoints", tol=0.0, ref=12}]
"si_kp_kpsym_debug_stress.inp"          = [{matcher="E_total", tol=1.0E-11, ref=-13.92597057189198},
                                           {matcher="N_special_kpoints", tol=0.0, ref=32},
                                           {matcher="M042", tol=1.0E-5, ref=0.0}]
"si_smear.inp"                          = []
"SiC_virial.inp"                        = []
"SiC-stress.inp"                        = [{matcher="M042", tol=1.5E-04, ref=0.0}]
"Si_gfn0_1d_x_diag_debug.inp"           = [{matcher="DEBUG_stress_sum", tol=2.0E-5, ref=0.0000000},
                                           {matcher="DEBUG_periodic_stress_sum", tol=5.0E-6, ref=0.0000000},
                                           {matcher="DEBUG_force_sum", tol=5.0E-6, ref=0.0000000},
                                           {matcher="N_special_kpoints", tol=0.0, ref=1}]
"H2O_gfn0_mol_debug.inp"                = [{matcher="DEBUG_stress_sum", tol=1.0E-7, ref=0.0000000},
                                           {matcher="DEBUG_force_sum", tol=1.0E-6, ref=0.0000000}]
"H2O_gfn0_uks_mol_debug.inp"            = [{matcher="DEBUG_stress_sum", tol=1.0E-7, ref=0.0000000},
                                           {matcher="DEBUG_force_sum", tol=1.0E-6, ref=0.0000000}]
"H2O_gfn0_yz_kp_debug.inp"              = [{matcher="DEBUG_stress_sum", tol=2.0E-5, ref=0.0000000},
                                           {matcher="DEBUG_periodic_stress_sum", tol=1.0E-5, ref=0.0000000},
                                           {matcher="DEBUG_force_sum", tol=1.0E-6, ref=0.0000000},
                                           {matcher="N_special_kpoints", tol=0.0, ref=2}]
"ch2o_eeq.inp"                          = [{matcher="E_total", tol=1.0E-11, ref=-7.84498764689590}]
"ch2o_eloc.inp"                         = []
"ch2o_eper.inp"                         = []
"ch2o_ls1.inp"                          = [{matcher="E_total", tol=1.0E-12, ref=-6.46515972056537}]
"ch2o_ls2.inp"                          = []
#EOF
