Input 01-propagators.06-aetrs.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-serial-full: [foss2023a-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 | -1.243449787580175e-14 | PASS |
Multipoles [step 0] | -9.618268705905049e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.549810359392648e-15 | PASS |
Multipoles [step 20] | -1.265509663990626e-01 | -1.265509663990525e-01 | 1.300000000000000e-14 | -1.010302952408892e-14 | PASS |
Forces [step 0] | 8.537673799433110e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.576516694967722e-14 | PASS |
Forces [step 20] | 7.966840852244061e-02 | 7.966840852245660e-02 | 1.950000000000000e-14 | -1.598721155460225e-14 | PASS |