Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128270e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.035882739117369e-12 | PASS |
| Energy [step 20] | -3.184094654954769e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -7.560174708487466e-12 | PASS |
| Multipoles [step 0] | -1.206884746938364e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.635881287858240e-06 | PASS |
| Multipoles [step 20] | -2.020306511860173e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.090123653099909e-07 | PASS |