Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128265e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | 4.490630090003833e-12 | PASS |
| Energy [step 20] | -3.184094654954740e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | -4.718003765447065e-12 | PASS |
| Multipoles [step 0] | -1.206981493838119e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.539134388102878e-06 | PASS |
| Multipoles [step 20] | -2.020306554109799e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | 3.667627392900386e-07 | PASS |