Input 01-propagators.06-aetrs.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-serial-full: [foss2023b-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 2.309263891220326e-14 | PASS |
Energy [step 20] | -1.060637353666413e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | -1.065814103640150e-14 | PASS |
Multipoles [step 0] | -9.618268705905049e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.549810359392648e-15 | PASS |
Multipoles [step 20] | -1.265509663990622e-01 | -1.265509663990618e-01 | 5.590000000000000e-15 | -4.163336342344337e-16 | PASS |
Forces [step 0] | 8.537673799433598e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.442490654175344e-15 | PASS |
Forces [step 20] | 7.966840852244594e-02 | 7.966840852244794e-02 | 8.059999999999999e-15 | -1.998401444325282e-15 | PASS |