# 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"                  = [{matcher="E_total", tol=2e-13, ref=-3.01067446615063}]
"HeH-cdft-state-1.inp"                  = [{matcher="M071", tol=1e-7, ref=0.161058337228}]
"HeH-cdft-state-2.inp"                  = [{matcher="M071", tol=1e-7, ref=1.849710970513}]
# These tests compute the electronic coupling and related quantities
# Coupling via rotation
"HeH-mixed-cdft-1.inp"                  = [{matcher="M073", tol=1e-7, ref=204.357138287654}]
# Coupling via Lowdin orthogonalization
"HeH-mixed-cdft-2.inp"                  = [{matcher="M076", tol=1e-7, ref=154.149819062673}]
# CDFT-CI
"HeH-mixed-cdft-3.inp"                  = [{matcher="M077", tol=1e-7, ref=-2.80477609770094}]
# Rerun some tests using parallel mode (NGROUPS 2)
# Electronic coupling and related
"HeH-mixed-cdft-8.inp"                  = [{matcher="M073", tol=1e-7, ref=204.357138287651}]