Input 05-time_propagation.05-td_md.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177379e+01 | -3.791009280177000e+01 | 1.900000000000000e-10 | -3.787192781601334e-12 | PASS |
| Energy [step 5] | -3.791008856892489e+01 | -3.791008856893000e+01 | 1.900000000000000e-10 | 5.108802270115120e-12 | PASS |
| Energy [step 10] | -3.791001520298107e+01 | -3.791001520298000e+01 | 1.900000000000000e-10 | -1.072919530997751e-12 | PASS |