Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128270e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | 4.035882739117369e-12 | PASS |
| Energy [step 20] | -3.184094654954736e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | -4.320099833421409e-12 | PASS |
| Multipoles [step 0] | -1.207157045200871e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.363583025350721e-06 | PASS |
| Multipoles [step 20] | -2.020306631302899e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | 2.895696384896951e-07 | PASS |