Input 01-propagators.06-aetrs.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
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 | -3.552713678800501e-15 | PASS |
| Multipoles [step 0] | 1.716021855863170e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 1.533588746716486e-15 | PASS |
| Multipoles [step 20] | -1.265509663990611e-01 | -1.265509663990613e-01 | 2.080000000000000e-15 | 1.942890293094024e-16 | PASS |
| Forces [step 0] | 8.537673799433509e-02 | 8.537673799433354e-02 | 5.130000000000000e-15 | 1.554312234475219e-15 | PASS |
| Forces [step 20] | 7.966840852244639e-02 | 7.966840852244794e-02 | 4.150000000000000e-15 | -1.554312234475219e-15 | PASS |