Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128289e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.046363078989089e-12 | PASS |
| Energy [step 20] | -3.184094654954761e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.821210263296962e-12 | PASS |
| Multipoles [step 0] | -1.206972611748999e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.548016477222633e-06 | PASS |
| Multipoles [step 20] | -2.020306550213640e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.706588977969716e-07 | PASS |