Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128284e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.614797267597169e-12 | PASS |
| Energy [step 20] | -3.184094654954773e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.014922059373930e-12 | PASS |
| Multipoles [step 0] | -1.206933572784674e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.587055441547744e-06 | PASS |
| Multipoles [step 20] | -2.020306533495863e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.873766751816277e-07 | PASS |