Input 12-electronic_subsystem_propagators.02-expmid.inp

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766762e+01 -1.060686608766760e+01 1.060000000000000e-13 -1.776356839400250e-14 PASS
Energy [step 20] -1.060647833783795e+01 -1.060647833783796e+01 1.060000000000000e-13 1.243449787580175e-14 PASS
Multipoles [step 0] 1.668587143455191e-16 -8.908015926463452e-16 4.090000000000000e-15 1.057660306991864e-15 PASS
Multipoles [step 20] -1.108549608270491e-01 -1.108549608270478e-01 4.210000000000000e-15 -1.332267629550188e-15 PASS
Compare to other inputs