Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 7340c9717a63bb8691685536ab6dd281015dc066 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128267e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.263256414560601e-12 | PASS |
| Energy [step 20] | -3.184094654954747e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -5.400124791776761e-12 | PASS |
| Multipoles [step 0] | -1.207045820644570e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.474807581651913e-06 | PASS |
| Multipoles [step 20] | -2.020306582052572e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.388199658616031e-07 | PASS |