Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit e7de9bbf531ff65a0d18444fdbe173713a455724 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128278e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.240074875066057e-12 | PASS |
| Energy [step 20] | -3.184094654954764e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -7.105427357601002e-12 | PASS |
| Multipoles [step 0] | -1.206932711022513e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.587917203709374e-06 | PASS |
| Multipoles [step 20] | -2.020306532606049e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.882664887377985e-07 | PASS |