Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 94d58911903c32860449c62a795f2d74d19217f9 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128287e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.273736754432321e-12 | PASS |
| Energy [step 20] | -3.184094654954782e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.924416761146858e-12 | PASS |
| Multipoles [step 0] | -1.206874891580612e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.645736645610349e-06 | PASS |
| Multipoles [step 20] | -2.020306507583209e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.132893289821027e-07 | PASS |