Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128294e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.591615728102624e-12 | PASS |
| Energy [step 20] | -3.184094654954716e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -2.330580173293129e-12 | PASS |
| Multipoles [step 0] | -1.207323382188083e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.197246038138919e-06 | PASS |
| Multipoles [step 20] | -2.020306703457898e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.174146396249910e-07 | PASS |