Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 91746b7e50d5ea0025b393f8233f16beebc5d069 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128291e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.875832822406664e-12 | PASS |
| Energy [step 20] | -3.184094654954787e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -9.379164112033322e-12 | PASS |
| Multipoles [step 0] | -1.206885127301230e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.635500924992037e-06 | PASS |
| Multipoles [step 20] | -2.020306512024125e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.088484129027847e-07 | PASS |