Input 01-propagators.06-aetrs.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss_cmake: [foss2022a-mpi, foss-min-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 | 3.552713678800501e-15 | PASS |
| Multipoles [step 0] | 1.824339507586203e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 1.236356018784060e-15 | PASS |
| Multipoles [step 20] | -1.265509663990627e-01 | -1.265509663990525e-01 | 1.300000000000000e-14 | -1.024180740216707e-14 | PASS |
| Forces [step 0] | 8.537673799432843e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.842970220877760e-14 | PASS |
| Forces [step 20] | 7.966840852244150e-02 | 7.966840852245660e-02 | 1.950000000000000e-14 | -1.509903313490213e-14 | PASS |