Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128290e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.989519660128281e-12 | PASS |
| Energy [step 20] | -3.184094654954653e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | 3.979039320256561e-12 | PASS |
| Multipoles [step 0] | -1.207779058103001e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 3.741570123221233e-06 | PASS |
| Multipoles [step 20] | -2.020306901310617e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 1.956192097196663e-08 | PASS |