Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run autotools_foss_mpi_omp: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128266e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.376943252282217e-12 | PASS |
| Energy [step 20] | -3.184094654954778e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.469669410260394e-12 | PASS |
| Multipoles [step 0] | -1.206821674171896e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.698954054326238e-06 | PASS |
| Multipoles [step 20] | -2.020306484432868e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.364396701816986e-07 | PASS |