Input 12-electronic_subsystem_propagators.02-expmid.inp

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > 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] -1.060647833783794e+01 -1.060647833783796e+01 1.060000000000000e-13 1.598721155460225e-14 PASS
Multipoles [step 0] -2.100218436662527e-15 -8.908015926463452e-16 4.090000000000000e-15 -1.209416844016181e-15 PASS
Multipoles [step 20] -1.108549608270499e-01 -1.108549608270478e-01 4.210000000000000e-15 -2.123301534595612e-15 PASS
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