Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128300e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 9.663381206337363e-13 | PASS |
| Energy [step 20] | -3.184094654954741e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -4.831690603168681e-12 | PASS |
| Multipoles [step 0] | -1.207118928427883e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.401699798338649e-06 | PASS |
| Multipoles [step 20] | -2.020306614240447e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.066320908295950e-07 | PASS |