Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128305e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 5.115907697472721e-13 | PASS |
| Energy [step 20] | -3.184094654954591e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 1.017497197608463e-11 | PASS |
| Multipoles [step 0] | -1.208518802649189e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 3.001825577033041e-06 | PASS |
| Multipoles [step 20] | -2.020307218793109e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -2.979205708797394e-07 | PASS |