# 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
#
He2-energy-diag.inp                                   11      1e-13             -4.892580810846837
He2-cdft-diag-1.inp                                   11      1e-13             -4.526329437291760
He2-cdft-diag-2.inp                                   11      1e-13             -4.526329530761175
# Mixed CDFT: change parameters related to how fractionally occupied MOs are treated
He2-mixed-cdft-diag-1.inp                             73      1e-11               444.493157682007
He2-mixed-cdft-diag-2.inp                             73      2e-9                  0.120864933677
He2-mixed-cdft-diag-3.inp                             73      1e-11               444.493471275986
He2-mixed-cdft-diag-5.inp                             73      1e-11               444.493471275987
He2-mixed-cdft-diag-6.inp                             73      1e-11                34.273313989932
He2-mixed-cdft-diag-7.inp                             73      1e-11               535.869873289158
# Constrain alpha and beta spin densities separately
He2-cdft-alphabeta-diag-1.inp                         11      6e-10             -3.044689112623726
He2-cdft-alphabeta-diag-2.inp                         11      6e-10             -3.044689417773989
He2-mixed-cdft-alphabeta-diag-1.inp                   76      5e-8                  5.100790096990
#EOF
