Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128280e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.955857780762017e-12 | PASS |
| Energy [step 20] | -3.184094654954783e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.981260180007666e-12 | PASS |
| Multipoles [step 0] | -1.206873826123264e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.646802102957698e-06 | PASS |
| Multipoles [step 20] | -2.020306507123645e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.137488933686484e-07 | PASS |