Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_foss_mpi_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128260e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | 4.945377440890297e-12 | PASS |
| Energy [step 20] | -3.184094654954805e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | -1.119815351557918e-11 | PASS |
| Multipoles [step 0] | -1.206835820010077e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.684808216144859e-06 | PASS |
| Multipoles [step 20] | -2.020306490400303e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | 4.304722347470147e-07 | PASS |