Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433643e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.886579864025407e-15 | PASS |
| Forces [step 20] | 7.964959635257385e-02 | 7.964959635257580e-02 | 7.040000000000000e-15 | -1.956768080901838e-15 | 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] | -1.265304528942193e-01 | -1.265304528942195e-01 | 6.870000000000000e-15 | 2.220446049250313e-16 | PASS |