Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128279e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 3.126388037344441e-12 | PASS |
| Energy [step 20] | -3.184094654954708e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -1.477928890381008e-12 | PASS |
| Multipoles [step 0] | -1.207402066713284e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.118561512937930e-06 | PASS |
| Multipoles [step 20] | -2.020306737967802e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 1.829047362456038e-07 | PASS |