Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 18848dd43b1805cec78813204483223eec09e06c >
Run foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433065e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.620925615952729e-14 | PASS |
| Forces [step 20] | 7.964959635257030e-02 | 7.964959635258606e-02 | 1.730000000000000e-14 | -1.576516694967722e-14 | PASS |
| Energy [step 1] | -1.060686608766761e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 8.881784197001252e-15 | PASS |
| Energy [step 20] | -1.060637261154881e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -5.329070518200751e-15 | PASS |
| Multipoles [step 1] | -7.786503985530469e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.366633887355190e-15 | PASS |
| Multipoles [step 20] | -1.265304528942234e-01 | -1.265304528942126e-01 | 1.210000000000000e-14 | -1.082467449009528e-14 | PASS |