Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128292e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.818989403545856e-12 | PASS |
| Energy [step 20] | -3.184094654954765e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -7.219114195322618e-12 | PASS |
| Multipoles [step 0] | -1.206962202122130e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.558426104091457e-06 | PASS |
| Multipoles [step 20] | -2.020306545447327e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.754252113630230e-07 | PASS |