Input 01-propagators.06-aetrs.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_min_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.776356839400250e-14 | PASS |
| Energy [step 20] | -1.060637353666413e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
| Multipoles [step 0] | 4.267685692143329e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 4.085252582996645e-15 | PASS |
| Multipoles [step 20] | -1.265509663990596e-01 | -1.265509663990613e-01 | 4.000000000000000e-15 | 1.693090112553364e-15 | PASS |
| Forces [step 0] | 8.537673799433643e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.886579864025407e-15 | PASS |
| Forces [step 20] | 7.966840852244594e-02 | 7.966840852244794e-02 | 8.059999999999999e-15 | -1.998401444325282e-15 | PASS |