Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128302e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 7.958078640513122e-13 | PASS |
| Energy [step 20] | -3.184094654954688e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 5.115907697472721e-13 | PASS |
| Multipoles [step 0] | -1.207581766035651e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 3.938862190571097e-06 | PASS |
| Multipoles [step 20] | -2.020306815889139e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 1.049833988631121e-07 | PASS |