Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
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 | 8.130000000000000e-12 | 2.955857780762017e-12 | PASS |
| Energy [step 20] | -3.184094654954768e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -7.446487870765850e-12 | PASS |
| Multipoles [step 0] | -1.206917437517940e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.603190708281574e-06 | PASS |
| Multipoles [step 20] | -2.020306525984088e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.948884494953120e-07 | PASS |