Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128316e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | -6.252776074688882e-13 | PASS |
| Energy [step 20] | -3.184094654954748e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -5.456968210637569e-12 | PASS |
| Multipoles [step 0] | -1.207127070739486e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.393557486735917e-06 | PASS |
| Multipoles [step 20] | -2.020306617636047e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.032364905841689e-07 | PASS |