Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 65c9d1acfcf72851dda73eaed77edd797333194c >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128299e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.080024958355352e-12 | PASS |
| Energy [step 20] | -3.184094654954765e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -7.219114195322618e-12 | PASS |
| Multipoles [step 0] | -1.207046633393369e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.473994832853096e-06 | PASS |
| Multipoles [step 20] | -2.020306582400345e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.384721933841206e-07 | PASS |