Input 01-propagators.06-aetrs.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.060637353666412e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | -5.329070518200751e-15 | PASS |
| Multipoles [step 0] | -1.105506311493976e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.693489800296119e-15 | PASS |
| Multipoles [step 20] | -1.265509663990633e-01 | -1.265509663990525e-01 | 1.300000000000000e-14 | -1.079691891447965e-14 | PASS |
| Forces [step 0] | 8.537673799432932e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.754152378907747e-14 | PASS |
| Forces [step 20] | 7.966840852244061e-02 | 7.966840852245660e-02 | 1.950000000000000e-14 | -1.598721155460225e-14 | PASS |