# 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