Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 18848dd43b1805cec78813204483223eec09e06c >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799432755e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.931788062847772e-14 | PASS |
| Forces [step 20] | 7.964959635257118e-02 | 7.964959635258606e-02 | 1.730000000000000e-14 | -1.487698852997710e-14 | PASS |
| Energy [step 1] | -1.060686608766763e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
| Energy [step 20] | -1.060637261154881e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Multipoles [step 1] | 1.508198412350243e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 9.202149235481000e-16 | PASS |
| Multipoles [step 20] | -1.265304528942234e-01 | -1.265304528942126e-01 | 1.210000000000000e-14 | -1.076916333886402e-14 | PASS |