Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128289e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.103206497849897e-12 | PASS |
| Energy [step 20] | -3.184094654954720e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -2.671640686457977e-12 | PASS |
| Multipoles [step 0] | -1.207277012206437e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.243616019785007e-06 | PASS |
| Multipoles [step 20] | -2.020306683236616e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.376359220512825e-07 | PASS |