Input 01-propagators.06-aetrs.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
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] | -1.060637353666413e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Multipoles [step 0] | -1.105506311493976e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.693489800296119e-15 | PASS |
| Multipoles [step 20] | -1.265509663990622e-01 | -1.265509663990618e-01 | 5.590000000000000e-15 | -3.885780586188048e-16 | PASS |
| Forces [step 0] | 8.537673799433421e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 6.661338147750939e-16 | PASS |
| Forces [step 20] | 7.966840852244639e-02 | 7.966840852244794e-02 | 8.059999999999999e-15 | -1.554312234475219e-15 | PASS |