Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167139e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.389999226830696e-13 | PASS |
| Energy [step 50] | -1.261322168663094e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -9.348077867343818e-14 | PASS |
| Energy [step 100] | -1.261322168663116e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.163513729807164e-13 | PASS |
| Energy [step 150] | -1.261322168663145e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.445510378061954e-13 | PASS |
| Energy [step 200] | -1.261322168663177e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.765254609153999e-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 |