Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128285e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.501110429875553e-12 | PASS |
| Energy [step 20] | -3.184094654954738e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -4.490630090003833e-12 | PASS |
| Multipoles [step 0] | -1.207188732420011e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.331895806210457e-06 | PASS |
| Multipoles [step 20] | -2.020306644644816e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.762277215850872e-07 | PASS |