Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 94d58911903c32860449c62a795f2d74d19217f9 >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433332e-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] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.953992523340276e-14 | PASS |
| Energy [step 20] | -1.060637261154881e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Multipoles [step 1] | 2.068790451448255e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 1.480806962646111e-15 | PASS |
| Multipoles [step 20] | -1.265304528942164e-01 | -1.265304528942195e-01 | 6.870000000000000e-15 | 3.108624468950438e-15 | PASS |