# 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
HeH-cdft-state-1.inp                                  71      1e-7                 0.161058337228
HeH-cdft-state-2.inp                                  71      1e-7                 1.849710970513
# These tests compute the electronic coupling and related quantities
# Coupling via rotation
HeH-mixed-cdft-1.inp                                  73      1e-7               204.357138287654
# Coupling via Lowdin orthogonalization
HeH-mixed-cdft-2.inp                                  76      1e-7               154.149819062673
# CDFT-CI
HeH-mixed-cdft-3.inp                                  77      1e-7              -2.80477609770094
# Rerun some tests using parallel mode (NGROUPS 2)
# Electronic coupling and related
HeH-mixed-cdft-8.inp                                  73      1e-7               204.357138287651