Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d >
Run GCI_foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128272e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | 3.808509063674137e-12 | PASS |
| Energy [step 20] | -3.184094654954754e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | -6.082245818106458e-12 | PASS |
| Multipoles [step 0] | -1.206871589913810e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.649038312411419e-06 | PASS |
| Multipoles [step 20] | -2.020306506090106e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | 4.147824315126059e-07 | PASS |