Input 05-time_propagation.05-td_md.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
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] | -3.791001520298099e+01 | -3.791001520298000e+01 | 1.900000000000000e-10 | -9.876544027065393e-13 | PASS |