Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 2a1dc13191de3f3d16ec7491927e39f112456880 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128300e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 9.663381206337363e-13 | PASS |
| Energy [step 20] | -3.184094654954727e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -3.353761712787673e-12 | PASS |
| Multipoles [step 0] | -1.207279568574485e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.241059651737206e-06 | PASS |
| Multipoles [step 20] | -2.020306684491482e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.363810560623847e-07 | PASS |