Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 94d58911903c32860449c62a795f2d74d19217f9 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128345e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -3.467448550509289e-12 | PASS |
| Energy [step 20] | -3.184094654954600e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 9.265477274311706e-12 | PASS |
| Multipoles [step 0] | -1.208585132668666e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 2.935495557556062e-06 | PASS |
| Multipoles [step 20] | -2.020307245419614e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -3.245470758805880e-07 | PASS |