# 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
#
"HeH-noconstraint.inp"                  = [{matcher="E_total", tol=2e-13, ref=-3.01067446615063}]
# These tests use different optimizers for the CDFT constraint
# Newton: test different finite different schemes
"HeH-cdft-newton-fd1backward.inp"       = [{matcher="E_total", tol=9e-04, ref=-2.80114428543899}]
"HeH-cdft-newton-fd2.inp"               = [{matcher="E_total", tol=9e-04, ref=-2.71354237564800}]
"HeH-cdft-newton-fd1central.inp"        = [{matcher="E_total", tol=3e-04, ref=-2.76375295298293}]
# Newton: use backtracking line search
"HeH-cdft-newton-ls-fd2backward.inp"    = [{matcher="E_total", tol=2e-03, ref=-2.44853002459689}]
# Use restart for inverse Jacobian
"HeH-cdft-newton-fd1backward-restjacobian.inp" = [{matcher="E_total", tol=9e-04, ref=-2.80098856516107}]
# Continue line search as long as constraint gradient norm decreases
"HeH-cdft-newton-contls-fd2backward.inp" = [{matcher="E_total", tol=2e-03, ref=-2.43211811596821}]
#EOF
