#Testing the XAS_TDP method and the keyword combinations it involves
#Checking that the user can spefify his own RI_XAS basis set + simple LDA
"He-LDA-extRI_XAS.inp"                  = [{matcher="XAS_excit_ener", tol=1e-07, ref=25.875010}]
#Checking that the searched excitation energies can be defined by a range
"Ne-LDA-e_range.inp"                    = [{matcher="XAS_excit_ener", tol=1e-08, ref=829.640328}]
#Checking full TDDFT and simple hybrid functional
"H2O-B3LYP-full.inp"                    = [{matcher="XAS_excit_ener", tol=1e-08, ref=519.822873}]
#Checking the ability to restart for PDOS and CUBES
"H2O-B3LYP-full-restart.inp"            = []
#Checking the projection over MOs in RTP/EMD. This also include projection on excitated stated prediced in xas_tdp
"H2O-projection-mo.inp"                 = []
"H2O-projection-mo-emd.inp"             = []
#Checking that 2 atoms of different kinds can be excited
"CO-PBE0.inp"                           = [{matcher="XAS_excit_ener", tol=1e-08, ref=519.471902}]
#Checking the non-zero RI_REGION for better density projection
"C2H2-PBE-ri_region.inp"                = [{matcher="XAS_excit_ener", tol=1e-08, ref=269.849841}]
#Checking the iterative OT solver
"H2O-32-ot_solver.inp"                  = [{matcher="XAS_excit_ener", tol=1e-07, ref=500.758683}]
#Checking truncated and shortrange operators for exchange in PBCs
#as well as the use of RI metrics for screening
"Ne-pbc-truncated.inp"                  = [{matcher="XAS_excit_ener", tol=1e-08, ref=890.773794}]
"Ne-pbc-truncated-tc_metric.inp"        = [{matcher="XAS_excit_ener", tol=1e-06, ref=890.780820}]
"Ne-pbc-shortrange.inp"                 = [{matcher="XAS_excit_ener", tol=1e-08, ref=890.608044}]
"Ne-pbc-shortrange-sr_metric.inp"       = [{matcher="XAS_excit_ener", tol=1e-08, ref=890.609224}]
"Ne-pbc-shortrange-ovlp_metric.inp"     = [{matcher="XAS_excit_ener", tol=1e-08, ref=890.615305}]
#Checking the use of pseudo-potential and ADMM
"SiH4-PBE0-admm-pseudo.inp"             = [{matcher="XAS_excit_ener", tol=1e-08, ref=146.185955}]
#Checking open-shell calculation with non-singlet ground state
"CH3-PBE-uks.inp"                       = [{matcher="XAS_excit_ener", tol=1e-06, ref=265.242788}]
#Checking singlet, triplet, spin-conserving, spin-flip and SOC
"Ar-HF-2p-SOC-rcs.inp"                  = [{matcher="XAS_excit_ener", tol=1e-08, ref=261.349222}]
"Ar-HF-2p-SOC-os.inp"                   = [{matcher="XAS_excit_ener", tol=1e-08, ref=261.347679}]
#EOF
