Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128312e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -2.273736754432321e-13 | PASS |
| Energy [step 20] | -3.184094654954731e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -3.808509063674137e-12 | PASS |
| Multipoles [step 0] | -1.207170961147572e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.349667078650194e-06 | PASS |
| Multipoles [step 20] | -2.020306637026740e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.838457984211118e-07 | PASS |