Input 01-propagators.06-aetrs.inp
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766764e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -1.953992523340276e-14 | PASS |
| Energy [step 20] | -1.060637353666413e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Multipoles [step 0] | 4.969561139553727e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -9.102737484677028e-17 | PASS |
| Multipoles [step 20] | -1.265509663990607e-01 | -1.265509663990618e-01 | 5.590000000000000e-15 | 1.082467449009528e-15 | PASS |
| Forces [step 0] | 8.537673799433332e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -2.220446049250313e-16 | PASS |
| Forces [step 20] | 7.966840852244550e-02 | 7.966840852244794e-02 | 8.059999999999999e-15 | -2.442490654175344e-15 | PASS |