Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128290e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.989519660128281e-12 | PASS |
| Energy [step 20] | -3.184094654954740e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -4.661160346586257e-12 | PASS |
| Multipoles [step 0] | -1.207068397693120e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.452230533101781e-06 | PASS |
| Multipoles [step 20] | -2.020306592109653e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.287628844717005e-07 | PASS |