Input 01-propagators.06-aetrs.inp
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.776356839400250e-15 | PASS |
| Energy [step 20] | -1.060637353666411e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | 5.329070518200751e-15 | PASS |
| Multipoles [step 0] | -3.510011190391033e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | -4.097994679193176e-15 | PASS |
| Multipoles [step 20] | -1.265509663990669e-01 | -1.265509663990618e-01 | 5.590000000000000e-15 | -5.079270337660091e-15 | PASS |
| Forces [step 0] | 8.537673799432888e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -4.662936703425657e-15 | PASS |
| Forces [step 20] | 7.966840852244150e-02 | 7.966840852244794e-02 | 8.059999999999999e-15 | -6.439293542825908e-15 | PASS |