Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 3c5618978387ff506850febf67c434621a2adfa2 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128263e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.661160346586257e-12 | PASS |
| Energy [step 20] | -3.184094654954783e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -9.038103598868474e-12 | PASS |
| Multipoles [step 0] | -1.206889347218840e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.631281007382243e-06 | PASS |
| Multipoles [step 20] | -2.020306513839492e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.070330459349236e-07 | PASS |