Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128296e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.421085471520200e-12 | PASS |
| Energy [step 20] | -3.184094654954759e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -6.593836587853730e-12 | PASS |
| Multipoles [step 0] | -1.207033994829368e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.486633396854007e-06 | PASS |
| Multipoles [step 20] | -2.020306576861885e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.440106528529441e-07 | PASS |