Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit e09e54217c6ccfa05cd54e62fc481dbeeea35df8 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128293e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.648459146963432e-12 | PASS |
| Energy [step 20] | -3.184094654954756e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.309619493549690e-12 | PASS |
| Multipoles [step 0] | -1.206943153119117e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.577475107105317e-06 | PASS |
| Multipoles [step 20] | -2.020306537262019e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.836105189058969e-07 | PASS |