Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit c1843387c3c25bf42356cee40f04165a0aff5f6f >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128325e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -1.534772309241816e-12 | PASS |
| Energy [step 20] | -3.184094654954717e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -2.387423592153937e-12 | PASS |
| Multipoles [step 0] | -1.207348169226810e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.172458999411816e-06 | PASS |
| Multipoles [step 20] | -2.020306714473247e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.063992905476653e-07 | PASS |