Input 12-electronic_subsystem_propagators.02-expmid.inp

Commits > Commit f4bc596bdcf3afff33b833944576bfd5457df1bc > Run foss-mpi-opt-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766764e+01 -1.060686608766760e+01 1.060000000000000e-13 -3.730349362740526e-14 PASS
Energy [step 20] -1.060647833783797e+01 -1.060647833783796e+01 1.060000000000000e-13 -7.105427357601002e-15 PASS
Multipoles [step 0] -1.210472335159887e-15 -8.908015926463452e-16 4.090000000000000e-15 -3.196707425135414e-16 PASS
Multipoles [step 20] -1.108549608270490e-01 -1.108549608270478e-01 4.210000000000000e-15 -1.165734175856414e-15 PASS
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