Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128298e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | 1.193711796076968e-12 | PASS |
| Energy [step 20] | -3.184094654954733e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | -4.035882739117369e-12 | PASS |
| Multipoles [step 0] | -1.207153277247713e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.367350978508539e-06 | PASS |
| Multipoles [step 20] | -2.020306629103419e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | 2.917691186432592e-07 | PASS |