Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128301e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 8.526512829121202e-13 | PASS |
| Energy [step 20] | -3.184094654954661e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | 3.240074875066057e-12 | PASS |
| Multipoles [step 0] | -1.207748875427309e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 3.771752798913336e-06 | PASS |
| Multipoles [step 20] | -2.020306888218828e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.265370995819694e-08 | PASS |