# 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-water-noconstraint.inp                             1      2e-11              -2.95332848940723
# The MM part seems to introduce noise that is difficult to account for
# So just running the test successfully is sufficient
HeH-water-cdft-state-1.inp                             0
HeH-water-cdft-state-2.inp                             0
# These tests compute the electronic coupling in parallel/serial modes
# Tests the charge transfer energy which is not prone to noise
HeH-water-mixed-cdft-1.inp                            75      5e-10                 0.318940758387
HeH-water-mixed-cdft-2.inp                            75      5e-10                 0.318940758387
# MD tests in parallel/serial modes
HeH-water-mixed-cdft-3.inp                            11      1e-09             -2.564762048904492
HeH-water-mixed-cdft-4.inp                            11      2e-09             -2.564762048791228
#EOF
