#Testing the GW2X correction scheme for the XAS_TDP method and the keyword combinations it involves
#Checking basic calculations with the 2 approaches to GW2X: psudo-canonical and GW2X*
"H2O-B3LYP-pseudo_cano.inp"             = [{matcher="XAS_excit_ener", tol=1e-08, ref=538.170258}]
"H2O-B3LYP-GW2Xs.inp"                   = [{matcher="XAS_excit_ener", tol=1e-08, ref=537.831758}]
#Checking the individual scaling of spin-contributions (here using SCS-MP2)
"HCN-PBE0-SCS_GW2X.inp"                 = [{matcher="XAS_excit_ener", tol=1e-08, ref=404.819361}]
#Checking unrestricted KS ground state
"O2-HF-uks.inp"                         = [{matcher="XAS_excit_ener", tol=1e-08, ref=524.866496}]
#Checking the use of ADMM, pseudo-potentials and varying batch size
"CH3F-PBEh-admm-pseudo.inp"             = [{matcher="XAS_excit_ener", tol=1e-08, ref=680.050621}]
#Checking PBCs (non-practical calculations)
"Ne-pbc-shortrange.inp"                 = [{matcher="XAS_excit_ener", tol=1e-08, ref=904.378971}]
"Ne-pbc-truncated.inp"                  = [{matcher="XAS_excit_ener", tol=1e-08, ref=919.922795}]
#XPS only calculation, bypassing all XAS_TDP stuff
"SiH4-HF-xps_only.inp"                  = [{matcher="M091", tol=1e-08, ref=106.675736}]
"SiH4-BHandHLYP-xps_only.inp"           = [{matcher="M091", tol=1e-08, ref=106.089668}]
