Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167119e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.192379528447418e-13 | PASS |
| Energy [step 50] | -1.261322168663075e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -7.505107646466058e-14 | PASS |
| Energy [step 100] | -1.261322168663105e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.045830089196897e-13 | PASS |
| Energy [step 150] | -1.261322168663135e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.345590305845690e-13 | PASS |
| Energy [step 200] | -1.261322168663161e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.612043831755727e-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 |