Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128299e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.080024958355352e-12 | PASS |
| Energy [step 20] | -3.184094654954698e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -5.115907697472721e-13 | PASS |
| Multipoles [step 0] | -1.207390006767214e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.130621459007494e-06 | PASS |
| Multipoles [step 20] | -2.020306732712711e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 1.881598272746032e-07 | PASS |