Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167120e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.196820420545919e-13 | PASS |
| Energy [step 50] | -1.261322168663075e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -7.527312106958561e-14 | PASS |
| Energy [step 100] | -1.261322168663104e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.041389197098397e-13 | PASS |
| Energy [step 150] | -1.261322168663133e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.330047183500938e-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 |