Input 12-electronic_subsystem_propagators.02-expmid.inp

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Run foss-mpi-min: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766760e+01 1.060000000000000e-13 -3.019806626980426e-14 PASS
Energy [step 20] -1.060647833783797e+01 -1.060647833783796e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Multipoles [step 0] 3.421849046789886e-15 -8.908015926463452e-16 4.090000000000000e-15 4.312650639436231e-15 FAIL
Multipoles [step 20] -1.108549608270460e-01 -1.108549608270478e-01 4.210000000000000e-15 1.762479051592436e-15 PASS
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