Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128287e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.273736754432321e-12 | PASS |
| Energy [step 20] | -3.184094654954771e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -7.787548383930698e-12 | PASS |
| Multipoles [step 0] | -1.206955843369731e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.564784856491083e-06 | PASS |
| Multipoles [step 20] | -2.020306542670132e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.782024062815026e-07 | PASS |