Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit a13b23db727d16a495bf01d61e312a3a910271ff >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128266e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 4.433786671143025e-12 | PASS |
| Energy [step 20] | -3.184094654954762e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -6.934897101018578e-12 | PASS |
| Multipoles [step 0] | -1.206931255350180e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.589372876042047e-06 | PASS |
| Multipoles [step 20] | -2.020306532188062e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.886844757161612e-07 | PASS |