Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128286e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 2.387423592153937e-12 | PASS |
| Energy [step 20] | -3.184094654954749e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -5.627498467219993e-12 | PASS |
| Multipoles [step 0] | -1.207042912918635e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.477715307586944e-06 | PASS |
| Multipoles [step 20] | -2.020306579556060e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.413164777477107e-07 | PASS |