Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128280e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | 3.012701199622825e-12 | PASS |
| Energy [step 20] | -3.184094654954765e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | -7.219114195322618e-12 | PASS |
| Multipoles [step 0] | -1.206805911624489e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.714716601732444e-06 | PASS |
| Multipoles [step 20] | -2.020306477661182e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | 4.432113560604023e-07 | PASS |