Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 224605379ecf56495eac19edf712806ff1f57d89 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128288e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.216893335571513e-12 | PASS |
| Energy [step 20] | -3.184094654954642e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 5.059064278611913e-12 | PASS |
| Multipoles [step 0] | -1.207865508540532e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 3.655119685690373e-06 | PASS |
| Multipoles [step 20] | -2.020306938500811e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -1.762827261941879e-08 | PASS |