Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128296e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.421085471520200e-12 | PASS |
| Energy [step 20] | -3.184094654954665e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 2.842170943040401e-12 | PASS |
| Multipoles [step 0] | -1.207818556835036e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 3.702071391186107e-06 | PASS |
| Multipoles [step 20] | -2.020306918336817e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.535720966534427e-09 | PASS |