Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d >
Run GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128304e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | 6.252776074688882e-13 | PASS |
| Energy [step 20] | -3.184094654954758e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | -6.536993168992922e-12 | PASS |
| Multipoles [step 0] | -1.207187284229583e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.333343996639144e-06 | PASS |
| Multipoles [step 20] | -2.020306644010538e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | 2.768619999926614e-07 | PASS |