# 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                                     1      1e-12              -7.34857884918408
CH3-BP-MO_NO_DIAG.inp                                  1      1e-12              -7.34857884918410
CH3-BP-CAUCHY.inp                                      1      1e-12              -7.34857884918407
CH4-BP-CAUCHY_SUBSPACE.inp                             1      1e-12              -8.05244367959413
H2+-BLOCKED-PURIFY-FULL.inp                            1      1e-12              -0.50560527586196
H2O-ADMMP-OPTX.inp                                     1      1e-12             -16.84585714177486
O2-triplet-ADMMS.inp                                   1      1e-10             -31.31453544662221
MD-1.inp                                               1      5e-10              -8.05212222523879
# these tests are only possible under GAPW since they involve ALL electron calculations
H2-geo-ALL.inp                                         1      5e-10              -1.15560300364748
MD-2-ALL.inp                                           1      5e-10              -8.05318571814679
# GAPW_XC tests
H2-geo-XC.inp                                          1      5e-10              -1.15201574159787
H2O-ADMMP-XC.inp                                       1      1e-12             -16.85600729246631
# GAPW ADMM with RTP
H2O-admm-emd.inp                                       2      1e-10            -0.167597110002E+02
#EOF
