Input 01-propagators.06-aetrs.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766763e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 20] | -1.060637353666412e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | 1.776356839400250e-15 | PASS |
| Multipoles [step 0] | -3.169236113776883e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -9.049071001798312e-16 | PASS |
| Multipoles [step 20] | -1.265509663990632e-01 | -1.265509663990618e-01 | 5.590000000000000e-15 | -1.415534356397075e-15 | PASS |
| Forces [step 0] | 8.537673799433509e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 1.554312234475219e-15 | PASS |
| Forces [step 20] | 7.966840852244639e-02 | 7.966840852244794e-02 | 8.059999999999999e-15 | -1.554312234475219e-15 | PASS |