Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128301e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 8.526512829121202e-13 | PASS |
| Energy [step 20] | -3.184094654954780e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.697043085703626e-12 | PASS |
| Multipoles [step 0] | -1.206902218279030e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.618409947192365e-06 | PASS |
| Multipoles [step 20] | -2.020306519447077e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.014254608719625e-07 | PASS |