Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128322e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | -1.193711796076968e-12 | PASS |
| Energy [step 20] | -3.184094654954599e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | 9.436007530894130e-12 | PASS |
| Multipoles [step 0] | -1.208097461905117e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 3.423166321105337e-06 | PASS |
| Multipoles [step 20] | -2.020307038145842e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -1.172733039567220e-07 | PASS |