Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167118e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.176836406102666e-13 | PASS |
| Energy [step 50] | -1.261322168663076e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -7.571721027943568e-14 | PASS |
| Energy [step 100] | -1.261322168663104e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.039168751049147e-13 | PASS |
| Energy [step 150] | -1.261322168663134e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.334488075599438e-13 | PASS |
| Energy [step 200] | -1.261322168663161e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.605382493607976e-13 | PASS |
| Density matrix [step 50] | 8.223000000000000e-01 | 8.223000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density matrix [step 100] | 8.215000000000000e-01 | 8.215000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density matrix [step 150] | 8.210000000000000e-01 | 8.210000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density matrix [step 200] | 8.206000000000000e-01 | 8.206000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |