Input 05-time_propagation.05-td_md.inp
Commits >
Commit 2b78a76b7053787dce5c406550a4bb5b7bd1d2d3 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177380e+01 | -3.791009280177000e+01 | 1.900000000000000e-10 | -3.801403636316536e-12 | PASS |
| Energy [step 5] | -3.791008856892491e+01 | -3.791008856893000e+01 | 1.900000000000000e-10 | 5.094591415399918e-12 | PASS |
| Energy [step 10] | -3.791001520298113e+01 | -3.791001520298000e+01 | 1.900000000000000e-10 | -1.129762949858559e-12 | PASS |