Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run intel_mpi_omp_autotools: [intel2022a-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] | -3.184094654954699e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -5.684341886080801e-13 | PASS |
| Multipoles [step 0] | -1.207442167001749e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.078461224473135e-06 | PASS |
| Multipoles [step 20] | -2.020306755430853e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 1.654416852403529e-07 | PASS |