Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128276e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.410605131648481e-12 | PASS |
| Energy [step 20] | -3.184094654954720e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -2.728484105318785e-12 | PASS |
| Multipoles [step 0] | -1.208298957227030e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 3.221670999191623e-06 | PASS |
| Multipoles [step 20] | -2.020307124660523e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -2.037879847094359e-07 | PASS |