Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
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 | 2.103206497849897e-12 | PASS |
| Energy [step 20] | -3.184094654954747e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -5.400124791776761e-12 | PASS |
| Multipoles [step 0] | -1.206907249659731e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.613378566491405e-06 | PASS |
| Multipoles [step 20] | -2.020306521612981e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.992595569712876e-07 | PASS |