Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128251e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 5.911715561524034e-12 | PASS |
| Energy [step 20] | -3.184094654954778e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -8.469669410260394e-12 | PASS |
| Multipoles [step 0] | -1.206897941160676e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.622687065546300e-06 | PASS |
| Multipoles [step 20] | -2.020306517128824e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.037437140169686e-07 | PASS |