Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128273e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 3.694822225952521e-12 | PASS |
| Energy [step 20] | -3.184094654954748e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -5.456968210637569e-12 | PASS |
| Multipoles [step 0] | -1.206883823410609e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.636804815612511e-06 | PASS |
| Multipoles [step 20] | -2.020306511607936e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.092646017639368e-07 | PASS |