Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit c1843387c3c25bf42356cee40f04165a0aff5f6f >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128285e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.444267011014745e-12 | PASS |
| Energy [step 20] | -3.184094654954779e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.640199666842818e-12 | PASS |
| Multipoles [step 0] | -1.206891486031481e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.629142194741359e-06 | PASS |
| Multipoles [step 20] | -2.020306514902061e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.059704767911398e-07 | PASS |