Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128280e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.012701199622825e-12 | PASS |
| Energy [step 20] | -3.184094654954748e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -5.456968210637569e-12 | PASS |
| Multipoles [step 0] | -1.207053426801802e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.467201424420081e-06 | PASS |
| Multipoles [step 20] | -2.020306585372260e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.355002782257088e-07 | PASS |