# 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                                  1       2e-13             -3.01067446615063
# These tests use different optimizers for the CDFT constraint
# Newton: test different finite different schemes
HeH-cdft-newton-fd1backward.inp                       1       9e-04             -2.80114428543899
HeH-cdft-newton-fd2.inp                               1       9e-04             -2.71354237564800
HeH-cdft-newton-fd1central.inp                        1       3e-04             -2.76375295298293
# Newton: use backtracking line search
HeH-cdft-newton-ls-fd2backward.inp                    1       2e-03             -2.44853002459689
# Use restart for inverse Jacobian
HeH-cdft-newton-fd1backward-restjacobian.inp          1       9e-04             -2.80098856516107
# Continue line search as long as constraint gradient norm decreases
HeH-cdft-newton-contls-fd2backward.inp                1       2e-03             -2.43211811596821
#EOF
