Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit f484e314acc228329e17ffb1f42ae4a074ecf8ad >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128298e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.193711796076968e-12 | PASS |
| Energy [step 20] | -3.184094654954733e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -3.979039320256561e-12 | PASS |
| Multipoles [step 0] | -1.207231680397089e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.288947829132967e-06 | PASS |
| Multipoles [step 20] | -2.020306663573844e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.572986934623600e-07 | PASS |