Input 05-lithium.05-tdtdm.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Point 1 energy 0.0735 | 8.570810547864001e-03 | 8.509541694650000e-03 | 9.330000000000000e-03 | 6.126885321400093e-05 | PASS |
| Point 2 energy 0.0735 | 1.941760203393400e-02 | 2.828758346446200e-02 | 3.860000000000000e-02 | -8.869981430528001e-03 | PASS |
| Point 3 energy 0.0735 | 4.633716754143400e-02 | 5.749415591569800e-02 | 3.870000000000000e-02 | -1.115698837426400e-02 | PASS |