# 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"            = [{matcher="E_total", tol=2e-11, ref=-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"            = []
"HeH-water-cdft-state-2.inp"            = []
# 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"            = [{matcher="M075", tol=5e-10, ref=0.318940758387}]
"HeH-water-mixed-cdft-2.inp"            = [{matcher="M075", tol=5e-10, ref=0.318940758387}]
# MD tests in parallel/serial modes
"HeH-water-mixed-cdft-3.inp"            = [{matcher="M011", tol=1e-09, ref=-2.564762048904492}]
"HeH-water-mixed-cdft-4.inp"            = [{matcher="M011", tol=2e-09, ref=-2.564762048791228}]
#EOF
