Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128281e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.899014361901209e-12 | PASS |
| Energy [step 20] | -3.184094654954763e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.991740519879386e-12 | PASS |
| Multipoles [step 0] | -1.206960026504139e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.560601722082775e-06 | PASS |
| Multipoles [step 20] | -2.020306544631347e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.762411910912533e-07 | PASS |