Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 368be28936f76d73ed8ffdbffb2589aae6837ea5 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128272e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.751665644813329e-12 | PASS |
| Energy [step 20] | -3.184094654954763e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.991740519879386e-12 | PASS |
| Multipoles [step 0] | -1.206874122692700e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.646505533522022e-06 | PASS |
| Multipoles [step 20] | -2.020306507253668e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.136188698211640e-07 | PASS |