Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit b21946569e0fd76bd0c736308c1aade8f51fa7e4 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128283e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.671640686457977e-12 | PASS |
| Energy [step 20] | -3.184094654954745e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -5.172751116333529e-12 | PASS |
| Multipoles [step 0] | -1.207054301200827e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.466327025394673e-06 | PASS |
| Multipoles [step 20] | -2.020306585931549e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.349409887221100e-07 | PASS |