Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 91746b7e50d5ea0025b393f8233f16beebc5d069 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128306e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.979039320256561e-13 | PASS |
| Energy [step 20] | -3.184094654954788e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -9.492850949754938e-12 | PASS |
| Multipoles [step 0] | -1.206896261802481e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.624366423740473e-06 | PASS |
| Multipoles [step 20] | -2.020306516837283e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.040352550305215e-07 | PASS |