Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run foss-serial-debug: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433598e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.442490654175344e-15 | PASS |
| Forces [step 20] | 7.964959635257385e-02 | 7.964959635257580e-02 | 7.040000000000000e-15 | -1.956768080901838e-15 | 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 | -1.065814103640150e-14 | PASS |
| Multipoles [step 1] | -9.618268705905049e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.549810359392648e-15 | PASS |
| Multipoles [step 20] | -1.265304528942181e-01 | -1.265304528942195e-01 | 6.870000000000000e-15 | 1.415534356397075e-15 | PASS |