Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128310e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -5.684341886080801e-14 | PASS |
| Energy [step 20] | -3.184094654954808e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -1.153921402874403e-11 | PASS |
| Multipoles [step 0] | -1.206892643087487e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.627985138734797e-06 | PASS |
| Multipoles [step 20] | -2.020306515271160e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.056013782616219e-07 | PASS |