Input 12-electronic_subsystem_propagators.02-expmid.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_min_autotools: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766764e+01 -1.060686608766760e+01 1.060000000000000e-13 -3.552713678800501e-14 PASS
Energy [step 20] -1.060647833783797e+01 -1.060647833783796e+01 1.060000000000000e-13 -1.065814103640150e-14 PASS
Multipoles [step 0] 5.050326611988690e-16 6.744248104320451e-16 4.500000000000000e-15 -1.693921492331761e-16 PASS
Multipoles [step 20] -1.108549608270475e-01 -1.108549608270481e-01 3.190000000000000e-15 5.689893001203927e-16 PASS
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