# 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
"c_1.inp"                               = [{matcher="E_total", tol=1.0E-14, ref=-45.10384660417728}]
"c_2.inp"                               = [{matcher="E_total", tol=1.0E-14, ref=-45.68042106170509}]
"c_3.inp"                               = [{matcher="E_total", tol=2e-14, ref=-45.66762356227670}]
"c_4.inp"                               = [{matcher="E_total", tol=3e-14, ref=-45.66762356227670}]
"c_5.inp"                               = [{matcher="E_total", tol=3e-14, ref=-46.02680478900018}]
"c_6.inp"                               = [{matcher="E_total", tol=3e-14, ref=-46.02680478900022}]
"c_gapw.inp"                            = [{matcher="E_total", tol=2e-13, ref=-302.06260708591526}]
"c_gapwxc.inp"                          = [{matcher="E_total", tol=1e-12, ref=-45.66746891467081}]

"cn_1.inp"                              = [{matcher="E_total", tol=5e-12, ref=-49.26750298571628}]
"c_dos.inp"                             = [{matcher="E_total", tol=2e-14, ref=-45.65703654036614}]
"h_sym_red.inp"                         = [{matcher="E_total", tol=1e-13, ref=-4.34916646889997}]
"h_sym_red_restart.inp"                 = [{matcher="E_total", tol=1e-8, ref=-4.34916647312477}]
"h_noncanonical_kpsym.inp"              = [{matcher="E_total", tol=1e-12, ref=-4.34916646889997},
                                           {matcher="N_special_kpoints", tol=0.0, ref=4}]
"h_auto_noncanonical_kpsym.inp"         = [{matcher="E_total", tol=1e-12, ref=-4.34916646889997},
                                           {matcher="N_special_kpoints", tol=0.0, ref=4}]
"h_canonical_kpsym.inp"                 = [{matcher="E_total", tol=1e-12, ref=-4.34916646889997},
                                           {matcher="N_special_kpoints", tol=0.0, ref=2}]
"h_canonical_cart_kpsym.inp"            = [{matcher="E_total", tol=1e-12, ref=-4.34916646889997},
                                           {matcher="N_special_kpoints", tol=0.0, ref=2}]

"h_inv_red.inp"                         = [{matcher="E_total", tol=1e-13, ref=-4.34916646889997}]
"h_ortho_sym_red.inp"                   = [{matcher="E_total", tol=1e-8, ref=-2.73592238316042}]
"h_mono_sym_red.inp"                    = [{matcher="E_total", tol=1e-10, ref=-3.15139711262736}]
"h_hex_c3_gamma_k290.inp"               = [{matcher="E_total", tol=1e-7, ref=-9.29840881688658},
                                           {matcher="N_special_kpoints", tol=0.0, ref=20}]
"h_fcc_wannier90_scf_mp.inp"            = [{matcher="E_total", tol=1e-13, ref=-4.34524388359536},
                                           {matcher="N_special_kpoints", tol=0.0, ref=1},
                                           {matcher="WANNIER90_SCF_MO_REUSE"},
                                           {matcher="WANNIER90_DEGENERATE_SUBSPACE_ALIGN"}]
"h_fcc_wannier90_scf_mp_bloch.inp"      = [{matcher="E_total", tol=1e-13, ref=-4.34524388359536},
                                           {matcher="N_special_kpoints", tol=0.0, ref=1},
                                           {matcher="WANNIER90_SCF_MO_REUSE"},
                                           {matcher="WANNIER90_DEGENERATE_SUBSPACE_ALIGN"},
                                           {matcher="WANNIER90_USE_BLOCH_PHASES"},
                                           {matcher="WANNIER90_BLOCH_PHASE_GAUGE"}]
"h_fcc_wannier90_scf_mp_4_bloch_validate.inp" = [{matcher="E_total", tol=1e-13, ref=-4.30964310650676},
                                                  {matcher="N_special_kpoints", tol=0.0, ref=4},
                                                  {matcher="WANNIER90_SCF_MO_REUSE"},
                                                  {matcher="WANNIER90_DEGENERATE_SUBSPACE_ALIGN"},
                                                  {matcher="WANNIER90_USE_BLOCH_PHASES"},
                                                  {matcher="WANNIER90_BLOCH_PHASE_GAUGE"},
                                                  {matcher="WANNIER90_REUSE_VALIDATION"}]
"h_fcc_wannier90_scf_inv.inp"           = [{matcher="E_total", tol=1e-13, ref=-4.34524388359536}]
"h_fcc_wannier90_scf_full.inp"          = [{matcher="E_total", tol=1e-13, ref=-4.34524388359536}]
"h_fcc_general_wannier90_scf_full.inp"  = [{matcher="E_total", tol=1e-13, ref=-4.34524388359536}]
"h_fcc_general_wannier90_k290.inp"      = [{matcher="E_total", tol=1e-13, ref=-4.34524388359536},
                                           {matcher="N_special_kpoints", tol=0.0, ref=1},
                                           {matcher="WANNIER90_SCF_MO_REUSE"},
                                           {matcher="WANNIER90_DEGENERATE_SUBSPACE_ALIGN"}]
"h_fcc_macdonald_wannier90_k290.inp"    = [{matcher="E_total", tol=1e-13, ref=-4.34524388359536},
                                           {matcher="N_special_kpoints", tol=0.0, ref=1},
                                           {matcher="WANNIER90_SCF_MO_REUSE"},
                                           {matcher="WANNIER90_DEGENERATE_SUBSPACE_ALIGN"}]
"he_sc_wannier90_scf_sym.inp"           = [{matcher="E_total", tol=1e-13, ref=-2.95145706672897},
                                           {matcher="N_special_kpoints", tol=0.0, ref=1},
                                           {matcher="WANNIER90_SCF_MO_REUSE"}]
"he_sc_wannier90_scf_bloch.inp"         = [{matcher="E_total", tol=1e-13, ref=-2.95145706672897},
                                           {matcher="N_special_kpoints", tol=0.0, ref=1},
                                           {matcher="WANNIER90_SCF_MO_REUSE"},
                                           {matcher="WANNIER90_USE_BLOCH_PHASES"},
                                           {matcher="WANNIER90_BLOCH_PHASE_GAUGE"}]
"he_sc_wannier90_scf_validate.inp"      = [{matcher="E_total", tol=1e-13, ref=-2.95145706672897},
                                           {matcher="N_special_kpoints", tol=0.0, ref=1},
                                           {matcher="WANNIER90_SCF_MO_REUSE"},
                                           {matcher="WANNIER90_REUSE_VALIDATION"}]
"he2_sc_wannier90_scf_sym_2band.inp"    = [{matcher="E_total", tol=1e-13, ref=-5.78478325058176},
                                           {matcher="N_special_kpoints", tol=0.0, ref=1},
                                           {matcher="WANNIER90_SCF_MO_REUSE"}]
"he2_sc_wannier90_scf_bloch.inp"        = [{matcher="E_total", tol=1e-13, ref=-5.78478325058176},
                                           {matcher="N_special_kpoints", tol=0.0, ref=1},
                                           {matcher="WANNIER90_SCF_MO_REUSE"},
                                           {matcher="WANNIER90_USE_BLOCH_PHASES"},
                                           {matcher="WANNIER90_BLOCH_PHASE_GAUGE"}]
"h_tetra_c4_sym_red.inp"                = [{matcher="E_total", tol=1e-8, ref=-3.95113501866984}]
#EOF
