Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128334e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | -2.444267011014745e-12 | PASS |
| Energy [step 20] | -3.184094654954594e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | 9.890754881780595e-12 | PASS |
| Multipoles [step 0] | -1.208569812688062e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 2.950815538159618e-06 | PASS |
| Multipoles [step 20] | -2.020307239157787e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -3.182852488237131e-07 | PASS |