Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-serial-debug: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433110e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.576516694967722e-14 | PASS |
| Forces [step 20] | 7.964959635257074e-02 | 7.964959635258606e-02 | 1.730000000000000e-14 | -1.532107773982716e-14 | PASS |
| Energy [step 1] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 2.309263891220326e-14 | PASS |
| Energy [step 20] | -1.060637261154881e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Multipoles [step 1] | -9.618268705905049e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.549810359392648e-15 | PASS |
| Multipoles [step 20] | -1.265304528942236e-01 | -1.265304528942126e-01 | 1.210000000000000e-14 | -1.096345236817342e-14 | PASS |