Input 05-lithium.05-tdtdm.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Point 1 energy 0.0735 | 8.942482304974001e-03 | 8.509541694650000e-03 | 9.330000000000000e-03 | 4.329406103240011e-04 | PASS |
| Point 2 energy 0.0735 | 2.010456829492300e-02 | 2.828758346446200e-02 | 3.860000000000000e-02 | -8.183015169539003e-03 | PASS |
| Point 3 energy 0.0735 | 4.728820742933700e-02 | 5.749415591569800e-02 | 3.870000000000000e-02 | -1.020594848636100e-02 | PASS |