Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128275e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.467448550509289e-12 | PASS |
| Energy [step 20] | -3.184094654954777e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.412825991399586e-12 | PASS |
| Multipoles [step 0] | -1.206843168168492e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.677460057729782e-06 | PASS |
| Multipoles [step 20] | -2.020306493976464e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.268960740461125e-07 | PASS |