Input 12-electronic_subsystem_propagators.02-expmid.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766758e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | 2.486899575160351e-14 | PASS |
| Energy [step 20] | -1.060647833783795e+01 | -1.060647833783796e+01 | 1.060000000000000e-13 | 1.243449787580175e-14 | PASS |
| Multipoles [step 0] | 1.791989225465116e-15 | 6.744248104320451e-16 | 4.500000000000000e-15 | 1.117564415033071e-15 | PASS |
| Multipoles [step 20] | -1.108549608270473e-01 | -1.108549608270481e-01 | 3.190000000000000e-15 | 7.494005416219807e-16 | PASS |