# 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
# e.g. 0 means do not compare anything, running is enough
#      1 compares the last total energy in the file
#      for details see cp2k/tools/do_regtest
# mixing procedures nr. 1
"si8_pmix.inp"                          = [{matcher="E_total", tol=7e-12, ref=-31.06537866226393}]
"si8_kerker.inp"                        = [{matcher="E_total", tol=1e-12, ref=-31.06508598268039}]
"si8_pulay.inp"                         = [{matcher="E_total", tol=2e-13, ref=-31.06537120886255}]
"si8_broy.inp"                          = [{matcher="E_total", tol=7e-14, ref=-31.06537114151118}]
"si8_pulay_md.inp"                      = [{matcher="E_total", tol=5e-09, ref=-31.06829331239024}]
"si8_pulay_skip.inp"                    = [{matcher="E_total", tol=5e-14, ref=-31.06537121708260}]
# cholesky methods
"si8_pulay_reduce.inp"                  = [{matcher="E_total", tol=2e-13, ref=-31.06537120886254}]
"si8_pulay_restore.inp"                 = [{matcher="E_total", tol=2e-13, ref=-31.06537120886255}]
"si8_pulay_inverse.inp"                 = [{matcher="E_total", tol=2e-13, ref=-31.06537120886253}]
"si8_pulay_inv_dbcsr.inp"               = [{matcher="E_total", tol=3e-13, ref=-31.06537120886237}]
"si8_pulay_off.inp"                     = [{matcher="E_total", tol=7e-13, ref=-31.06537120889098}]
#
"si8_pmix_nosmear_mocubes.inp"          = [{matcher="E_total", tol=5e-12, ref=-31.06537866226393}]
"si8_pulay_mocubes.inp"                 = [{matcher="E_total", tol=5e-13, ref=-31.06537120886255}]
#
"si7c_kerker_test4.inp"                 = [{matcher="E_total", tol=5e-13, ref=-32.89224024014218}]
"si7c_kerker_test4_nopmix.inp"          = [{matcher="E_total", tol=5e-13, ref=-32.96309487122836}]
"si7c_pulay_gapw.inp"                   = [{matcher="E_total", tol=5e-13, ref=-32.83223837803978}]
"si7c_broy_gapw.inp"                    = [{matcher="E_total", tol=5e-13, ref=-32.75458171207599}]
"si7c_broy_gapw_a04_atomic.inp"         = [{matcher="E_total", tol=5e-13, ref=-32.84004749683221}]
"si7c_broy_gapw_a04_restart.inp"        = [{matcher="E_total", tol=5e-13, ref=-32.70494373739007}]
"si7c_broy_gapw_a04_nopmix.inp"         = [{matcher="E_total", tol=5e-13, ref=-32.84202168873963}]
#EOF
