Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128296e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.364242052659392e-12 | PASS |
| Energy [step 20] | -3.184094654954720e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -2.671640686457977e-12 | PASS |
| Multipoles [step 0] | -1.207269229072827e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.251399153394836e-06 | PASS |
| Multipoles [step 20] | -2.020306679967447e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.409050914309319e-07 | PASS |