Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128287e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.330580173293129e-12 | PASS |
| Energy [step 20] | -3.184094654954776e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.299139153677970e-12 | PASS |
| Multipoles [step 0] | -1.206954787036002e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.565841190219905e-06 | PASS |
| Multipoles [step 20] | -2.020306542221564e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.786509741310340e-07 | PASS |