Input 05-lithium.05-tdtdm.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Point 1 energy 0.0735 | 8.572638283962999e-03 | 8.509541694650000e-03 | 9.330000000000000e-03 | 6.309658931299977e-05 | PASS |
Point 2 energy 0.0735 | 1.942061753262500e-02 | 2.828758346446200e-02 | 3.860000000000000e-02 | -8.866965931837001e-03 | PASS |
Point 3 energy 0.0735 | 4.634133595554400e-02 | 5.749415591569800e-02 | 3.870000000000000e-02 | -1.115281996015400e-02 | PASS |