Input 12-electronic_subsystem_propagators.02-expmid.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205381e+01 -1.060684240205380e+01 5.300000000000000e-14 -5.329070518200751e-15 PASS
Energy [step 20] -1.060645465229316e+01 -1.060645465229320e+01 5.300000000000000e-13 3.552713678800501e-14 PASS
Multipoles [step 0] 2.111155000816822e-15 6.744248104320451e-16 4.500000000000000e-15 1.436730190384777e-15 PASS
Multipoles [step 20] -1.108552941390270e-01 -1.108552941390270e-01 5.540000000000000e-15 -1.387778780781446e-17 PASS
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