Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit e7a2691383642ecf56f17c5ca9d2debd1d27e53e >
Run foss_cmake: [foss2023a-mpi, foss-full-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] | -3.184094654954786e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -9.265477274311706e-12 | PASS |
| Multipoles [step 0] | -1.206896420126044e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.624208100177879e-06 | PASS |
| Multipoles [step 20] | -2.020306516913493e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.039590444371299e-07 | PASS |