Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128303e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 7.389644451905042e-13 | PASS |
| Energy [step 20] | -3.184094654954628e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 6.480149750132114e-12 | PASS |
| Multipoles [step 0] | -1.208039617083989e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 3.481011142232810e-06 | PASS |
| Multipoles [step 20] | -2.020307013318906e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -9.244636833827258e-08 | PASS |