Input 12-electronic_subsystem_propagators.02-expmid.inp

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Run foss_cuda_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766757e+01 -1.060686608766760e+01 1.060000000000000e-13 3.019806626980426e-14 PASS
Energy [step 20] -1.060647833783794e+01 -1.060647833783796e+01 1.060000000000000e-13 2.131628207280301e-14 PASS
Multipoles [step 0] 2.145211010782036e-15 6.744248104320451e-16 4.500000000000000e-15 1.470786200349991e-15 PASS
Multipoles [step 20] -1.108549608270460e-01 -1.108549608270481e-01 3.190000000000000e-15 2.081668171172169e-15 PASS
Compare to other inputs