Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128280e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 3.012701199622825e-12 | PASS |
| Energy [step 20] | -3.184094654954766e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -7.332801033044234e-12 | PASS |
| Multipoles [step 0] | -1.206905980078915e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.614648147306883e-06 | PASS |
| Multipoles [step 20] | -2.020306521049204e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.998233335522627e-07 | PASS |