Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128296e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.421085471520200e-12 | PASS |
| Energy [step 20] | -3.184094654954776e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.299139153677970e-12 | PASS |
| Multipoles [step 0] | -1.206904521576235e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.616106649986624e-06 | PASS |
| Multipoles [step 20] | -2.020306520409106e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.004634321930212e-07 | PASS |