Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128272e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.808509063674137e-12 | PASS |
| Energy [step 20] | -3.184094654954778e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.469669410260394e-12 | PASS |
| Multipoles [step 0] | -1.206927419754894e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.593208471327876e-06 | PASS |
| Multipoles [step 20] | -2.020306530492942e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.903795957604927e-07 | PASS |