# 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
# see regtest/TEST_FILES
#
"He2H-noconstraint.inp"                 = [{matcher="E_total", tol=2e-13, ref=-5.88335521102478}]
"He2H-cdft-state-1a.inp"                = [{matcher="M071", tol=2e-9, ref=1.594524947172}]
"He2H-cdft-state-1b.inp"                = [{matcher="M071", tol=3e-9, ref=0.515235783150}]
"He2H-cdft-state-2a.inp"                = [{matcher="M071", tol=2e-9, ref=1.994632273937}]
"He2H-cdft-state-2b.inp"                = [{matcher="M071", tol=2e-9, ref=1.852668458861}]
# CDFT-CI using a block diagonalized mixed CDFT Hamiltonian
"He2H-mixed-cdft-1.inp"                 = [{matcher="M077", tol=5e-8, ref=-6.84813719910651}]
"He2H-mixed-cdft-2.inp"                 = [{matcher="M077", tol=2e-7, ref=-7.90368522838573}]
"He2H-mixed-cdft-3.inp"                 = [{matcher="M077", tol=5e-8, ref=-5.78009324749503}]
"He2H-mixed-cdft-4.inp"                 = [{matcher="M077", tol=5e-8, ref=-6.73674737139200}]
#EOF
