Input 05-time_propagation.05-td_md.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177391e+01 | -3.791009280177000e+01 | 1.900000000000000e-10 | -3.915090474038152e-12 | PASS |
| Energy [step 5] | -3.791008856892502e+01 | -3.791008856893000e+01 | 1.900000000000000e-10 | 4.980904577678302e-12 | PASS |
| Energy [step 10] | -3.791001520298098e+01 | -3.791001520298000e+01 | 1.900000000000000e-10 | -9.805489753489383e-13 | PASS |