# 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
# ENERGY : LS + KG embed (GGA) + Harris (Diag)
"H2_H2O-xcLLP_ec.inp"                   = [{matcher="M011", tol=1e-08, ref=-18.1323810074}]
# ENERGY : LS + KG embed + Harris (Diag)
"H2_H2O_ec.inp"                         = [{matcher="M011", tol=1e-10, ref=-18.4641086282}]
# ENERGY : LS + KG embed + Harris (Diag) primitive basis
"H2_H2O_ecprim.inp"                     = [{matcher="M011", tol=1e-10, ref=-18.4071025433}]
# ENERGY : LS + KG embed + Harris (Diag) MAO basis
"2H2O_ecmao.inp"                        = [{matcher="M011", tol=1e-10, ref=-34.08394572951}]
# ENERGY : LS + KG embed + Harris (Diag) MAO basis options
"2H2O_ecmao2.inp"                       = [{matcher="M011", tol=1e-08, ref=-34.45746110722}]
# ENERGY : LS + KG embed + Harris (Diag) dipole 
"HF_ec_dipole.inp"                      = [{matcher="M011", tol=1e-08, ref=-24.8917060368}]
# ENERGY : LS + KG embed + Harris (Diag) dipole 
"HF_ec_voronoi.inp"                     = [{matcher="M011", tol=1e-08, ref=-24.8917060368}]
# ENERGY : LS + KG embed + Harris (Diag) molecular dipole 
"HF2_ec_voronoi.inp"                    = [{matcher="M011", tol=1e-08, ref=-49.7897161711}]
# ENERGY : LS + KG embed + Harris (Diag) efield 
"HF_ec_field.inp"                       = [{matcher="M011", tol=1e-08, ref=-24.8908706031}]
# ENERGY: Test Harris functional solvers 
# TRS4
"H2O_ec_trs4.inp"                       = [{matcher="M011", tol=1e-08, ref=-17.296853080783347}]
# TC2 
"N2_ec_tc2.inp"                         = [{matcher="M011", tol=1e-08, ref=-19.814762143139120}]
# Sign - Proot sign method and S-Sqrt method
"H2O_ec_sign.inp"                       = [{matcher="M011", tol=1e-06, ref=-17.296853984563839}]
# OTDiag with ground-state density as initial guess 
"H2O_ec_otdiag_gs.inp"                  = [{matcher="M011", tol=1e-08, ref=-17.215533866999245}]
# OTDiag with atomic block diagonal density matrix
"H2O_ec_otdiag_atomic.inp"              = [{matcher="M011", tol=1e-08, ref=-17.262953794245810}]
#
# FORCES: KS + Harris (Diag) + MO solver
"N2_ec.inp"                             = [{matcher="M011", tol=1e-08, ref=-19.9088452474}]
# FORCES: KS + Harris (Diag) + MO solver
"H2O_ec.inp"                            = [{matcher="M011", tol=1e-08, ref=-17.2629537942}]
# FORCES KS + KG embed + Harris (TRS4) + AO solver
"H2_H2O_KSKGeH_AO_grad.inp"             = [{matcher="M072", tol=1E-06, ref=0.01991310}]
# FORCES KS + KG embed + Harris (TRS4) + MO solver
"H2_H2O_KSKGeH_MO_grad.inp"             = [{matcher="M072", tol=1E-06, ref=0.02066929}]
# FORCES KS + KG atomic + Harris (TRS4) + AO solver
"H2_H2O_LSKGaH_AO_grad.inp"             = [{matcher="M072", tol=1E-06, ref=0.24253827}]
# FORCES KS + KG atomic + Harris (TRS4) + MO solver
"H2_H2O_LSKGaH_MO_grad.inp"             = [{matcher="M072", tol=1E-06, ref=0.24256217}]
#
# STRESS: KS + KG embed  + Harris (TRS4) + AO solver
"H2_H2O_KSKGeH_AO_an.inp"               = [{matcher="M031", tol=1e-05, ref=1.95042985060E+06}]
# STRESS: KS + KG embed  + Harris (TRS4) + MO solver
"H2_H2O_KSKGeH_MO_an.inp"               = [{matcher="M031", tol=1e-05, ref=-9.06100773653E+03}]
# STRESS: LS + KG atomic + Harris (TRS4) + AO solver
"H2_H2O_LSKGaH_AO_an.inp"               = [{matcher="M031", tol=1e-05, ref=1.49007996537E+06}]
# STRESS: LS + KG atomic + Harris (TRS4) + MO solver
"H2_H2O_LSKGaH_MO_an.inp"               = [{matcher="M031", tol=1e-05, ref=1.49107834133E+06}]
# STRESS: KS + Harris (Diag) + MO solver
"H2O_KSH_MO_an.inp"                     = [{matcher="M031", tol=1e-05, ref=4.50118137345E+05}]
# STRESS: KS + Harris (Diag) + MO solver - Diagonal numerical
"H2O_KSH_AO_numdiag.inp"                = [{matcher="M031", tol=1e-05, ref=-2.41849782017E+04}]
#
"N2_ec-hfx.inp"                         = [{matcher="M011", tol=1e-10, ref=-19.8158435718}]
"N2_ec-hfx-admm.inp"                    = [{matcher="M011", tol=1e-10, ref=-19.8434174923}]
#
"harris.inp"                            = []
#
"EXT1.inp"                              = []
"EXT2.inp"                              = [{matcher="M119", tol=1e-08, ref=1.12631842}]
"EXT3.inp"                              = []
"EXT4.inp"                              = []
"EXT5.inp"                              = []
"EXT6.inp"                              = []
"EXTerror.inp"                          = []
#EOF
