Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128274e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.581135388230905e-12 | PASS |
| Energy [step 20] | -3.184094654954781e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.810729923425242e-12 | PASS |
| Multipoles [step 0] | -1.206886014426894e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.634613799327442e-06 | PASS |
| Multipoles [step 20] | -2.020306512396413e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.084761249245616e-07 | PASS |