Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433376e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.220446049250313e-16 | PASS |
| Forces [step 20] | 7.964959635257429e-02 | 7.964959635257580e-02 | 7.040000000000000e-15 | -1.512678871051776e-15 | PASS |
| Energy [step 1] | -1.060686608766763e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 20] | -1.060637261154880e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | 0.000000000000000e+00 | PASS |
| Multipoles [step 1] | 1.824339507586203e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 1.236356018784060e-15 | PASS |
| Multipoles [step 20] | -1.265304528942189e-01 | -1.265304528942195e-01 | 6.870000000000000e-15 | 5.828670879282072e-16 | PASS |