Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
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 | -1.181277298201167e-13 | PASS |
| Energy [step 50] | -1.261322168663076e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -7.593925488436071e-14 | PASS |
| Energy [step 100] | -1.261322168663104e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.041389197098397e-13 | PASS |
| Energy [step 150] | -1.261322168663134e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.338928967697939e-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 |