Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128272e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.751665644813329e-12 | PASS |
| Energy [step 20] | -3.184094654954757e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.366462912410498e-12 | PASS |
| Multipoles [step 0] | -1.206972587868019e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.548040358203160e-06 | PASS |
| Multipoles [step 20] | -2.020306550210770e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.706617679455348e-07 | PASS |