Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd >
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] | -3.184094654954798e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -1.051603248924948e-11 | PASS |
| Multipoles [step 0] | -1.206805065251185e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.715562975037219e-06 | PASS |
| Multipoles [step 20] | -2.020306477293904e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.435786342682491e-07 | PASS |