Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128265e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.490630090003833e-12 | PASS |
| Energy [step 20] | -3.184094654954808e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -1.153921402874403e-11 | PASS |
| Multipoles [step 0] | -1.206770756169484e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.749872056737875e-06 | PASS |
| Multipoles [step 20] | -2.020306462641964e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.582305734857073e-07 | PASS |