# 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
# These tests are a representative set of the GPW ADMM tests, but run under GAPW. The results differ
# because of the highly non-convreged nature of the calculations (but agree for converged parameters) 
"CH3-BP-MO_DIAG.inp"                    = [{matcher="E_total", tol=1e-12, ref=-7.37962770836823}]
"CH3-BP-MO_NO_DIAG.inp"                 = [{matcher="E_total", tol=1e-12, ref=-7.37962770836824}]
"CH3-BP-CAUCHY.inp"                     = [{matcher="E_total", tol=1e-12, ref=-7.37962770836826}]
"CH4-BP-CAUCHY_SUBSPACE.inp"            = [{matcher="E_total", tol=1e-12, ref=-8.05306368077473}]
"H2+-BLOCKED-PURIFY-FULL.inp"           = [{matcher="E_total", tol=1e-12, ref=-0.54856281900786}]
"H2O-ADMMP-OPTX.inp"                    = [{matcher="E_total", tol=1e-12, ref=-16.84585714177486}]
"O2-triplet-ADMMS.inp"                  = [{matcher="E_total", tol=1e-10, ref=-31.31453544662221}]
"MD-1.inp"                              = [{matcher="E_total", tol=5e-10, ref=-8.042518859799019}]
# these tests are only possible under GAPW since they involve ALL electron calculations
"H2-geo-ALL.inp"                        = [{matcher="E_total", tol=5e-10, ref=-1.15560300475134}]
"MD-2-ALL.inp"                          = [{matcher="E_total", tol=5e-10, ref=-8.05320711716567}]
# GAPW_XC tests
"H2-geo-XC.inp"                         = [{matcher="E_total", tol=5e-10, ref=-1.15201541750519}]
"H2O-ADMMP-XC.inp"                      = [{matcher="E_total", tol=1e-12, ref=-16.85600729246631}]
# GAPW ADMM with RTP
"H2O-admm-emd.inp"                      = [{matcher="M002", tol=1e-10, ref=-16.8535073307}]
#EOF
